Molecular formula
C11H12N4O

SMILES
CC(=O)NC1=CC=C(C=C1)C2=CC(=NN2)N

Fragrance
Fruity	44.73%
Meaty	43.06%
Grape	38.78%
Odorless	36.34%
Roasted	35.77%
Cooked	35.4%
Savory	29.58%
Burnt	28.95%
Cheesy	27.52%
Ripe	22.31%

 

Flavor
Bitter	47.62%
Odorless	42.13%
Mild	36.16%
Fruity	26.37%
Nutty	24.25%
Roasted	22.91%
Bread crust	21.23%
Orange flower	20.97%
Scallion	20.68%
Taco	20.62%

 

Odor impact est.
Low

XLogP3-AA
0.7

pKa est.
6.37 (neutral)

Molecular weight
216.24 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
588°C

Flash point

• 272.67 ˚C est.

• CBDivE_004871
• Cambridge id 5102808
• Oprea1_589092
• XHUCEJSHKBWFII-UHFFFAOYSA-N
• 3-(4-Acetamidophenyl)-5-aminopyrazole
• N-[4-(5-Amino-1H-pyrazol-3-yl)phenyl]acetamide
• N-[4-(5-Amino-1H-pyrazol-3-yl)phenyl]acetamide #

3-(4-Acetamidophenyl)-5-aminopyrazole is primarily used as a synthetic intermediate in pharmaceutical research, serving as a building block for constructing the pyrazole ring framework and for exploring structure–activity relationships in pyrazole-based drug discovery. It is commonly evaluated in medicinal chemistry programs to generate analogous compounds and to support lead optimization. In industrial manufacturing, it can function as a precursor or bulk material for the synthesis of more complex pyrazole intermediates. In materials science and coatings, the compound may be used as a precursor for functional polymers or as a ligand precursor in catalysis or for developing functional coatings. It is also encountered in academic and industrial research as a starting point for exploring new heterocyclic frameworks and related bioactive compounds. Use is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	3.2
methanol	7.8
isopropanol	1.74
water	1.5
ethyl acetate	1.28
n-propanol	2.13
acetone	3.6
n-butanol	1.78
acetonitrile	1.58
DMF	153.33
toluene	0.03
isobutanol	1.47
1,4-dioxane	2.15
methyl acetate	2.35
THF	12.09
2-butanone	3.47
n-pentanol	2.2
sec-butanol	1.47
n-hexane	0.01
ethylene glycol	15.08
NMP	43.0
cyclohexane	0.0
DMSO	118.88
n-butyl acetate	2.13
n-octanol	1.11
chloroform	0.27
n-propyl acetate	2.19
acetic acid	12.21
dichloromethane	0.22
cyclohexanone	2.87
propylene glycol	22.5
isopropyl acetate	0.94
DMAc	147.65
2-ethoxyethanol	29.92
isopentanol	1.91
n-heptane	0.02
ethyl formate	3.66
1,2-dichloroethane	0.19
n-hexanol	1.42
2-methoxyethanol	58.68
isobutyl acetate	1.77
tetrachloromethane	0.06
n-pentyl acetate	1.47
transcutol	29.22
n-heptanol	1.44
ethylbenzene	0.07
MIBK	1.78
2-propoxyethanol	23.91
tert-butanol	2.26
MTBE	0.47
2-butoxyethanol	11.95
propionic acid	4.95
o-xylene	0.06
formic acid	33.4
diethyl ether	0.24
m-xylene	0.06
p-xylene	0.16
chlorobenzene	0.11
dimethyl carbonate	3.9
n-octane	0.01
formamide	37.64
cyclopentanone	9.44
2-pentanone	1.89
anisole	1.06
cyclopentyl methyl ether	0.8
gamma-butyrolactone	14.24
1-methoxy-2-propanol	33.39
pyridine	1.23
3-pentanone	1.0
furfural	20.99
n-dodecane	0.02
diethylene glycol	42.37
diisopropyl ether	0.1
tert-amyl alcohol	1.76
acetylacetone	4.35
n-hexadecane	0.03
acetophenone	2.42
methyl propionate	2.96
isopentyl acetate	2.52
trichloroethylene	0.62
n-nonanol	1.29
cyclohexanol	0.47
benzyl alcohol	2.54
2-ethylhexanol	0.86
isooctanol	1.36
dipropyl ether	0.68
1,2-dichlorobenzene	0.25
ethyl lactate	7.34
propylene carbonate	6.32
n-methylformamide	31.7
2-pentanol	0.7
n-pentane	0.0
1-propoxy-2-propanol	12.66
1-methoxy-2-propyl acetate	6.14
2-(2-methoxypropoxy) propanol	15.16
mesitylene	0.06
ε-caprolactone	4.7
p-cymene	0.18
epichlorohydrin	8.48
1,1,1-trichloroethane	0.18
2-aminoethanol	17.76
morpholine-4-carbaldehyde	45.24
sulfolane	31.23
2,2,4-trimethylpentane	0.01
2-methyltetrahydrofuran	1.88
n-hexyl acetate	1.9
isooctane	0.01
2-(2-butoxyethoxy)ethanol	17.49
sec-butyl acetate	1.15
tert-butyl acetate	1.32
decalin	0.01
glycerin	66.05
diglyme	25.52
acrylic acid	7.74
isopropyl myristate	0.95
n-butyric acid	4.94
acetyl acetate	1.07
di(2-ethylhexyl) phthalate	3.13
ethyl propionate	1.87
nitromethane	26.12
1,2-diethoxyethane	3.02
benzonitrile	1.6
trioctyl phosphate	1.85
1-bromopropane	0.08
gamma-valerolactone	31.69
n-decanol	0.99
triethyl phosphate	2.16
4-methyl-2-pentanol	0.75
propionitrile	1.28
vinylene carbonate	5.44
1,1,2-trichlorotrifluoroethane	25.18
DMS	2.89
cumene	0.12
2-octanol	0.75
2-hexanone	2.8
octyl acetate	1.48
limonene	0.18
1,2-dimethoxyethane	28.1
ethyl orthosilicate	1.81
tributyl phosphate	2.15
diacetone alcohol	7.28
N,N-dimethylaniline	1.15
acrylonitrile	3.09
aniline	0.37
1,3-propanediol	17.63
bromobenzene	0.07
dibromomethane	0.09
1,1,2,2-tetrachloroethane	0.76
2-methyl-cyclohexyl acetate	2.39
tetrabutyl urea	4.2
diisobutyl methanol	0.6
2-phenylethanol	2.21
styrene	0.07
dioctyl adipate	2.62
dimethyl sulfate	13.42
ethyl butyrate	1.95
methyl lactate	15.57
butyl lactate	5.82
diethyl carbonate	1.82
propanediol butyl ether	14.22
triethyl orthoformate	2.32
p-tert-butyltoluene	0.16
methyl 4-tert-butylbenzoate	5.55
morpholine	4.85
tert-butylamine	0.41
n-dodecanol	0.72
dimethoxymethane	18.05
ethylene carbonate	3.55
cyrene	19.41
2-ethoxyethyl acetate	3.81
2-ethylhexyl acetate	1.58
1,2,4-trichlorobenzene	0.43
4-methylpyridine	1.21
dibutyl ether	0.77
2,6-dimethyl-4-heptanol	0.6
DEF	6.05
dimethyl isosorbide	18.25
tetrachloroethylene	0.4
eugenol	9.96
triacetin	4.94
span 80	9.15
1,4-butanediol	10.37
1,1-dichloroethane	0.13
2-methyl-1-pentanol	2.07
methyl formate	17.62
2-methyl-1-butanol	1.66
n-decane	0.03
butyronitrile	1.43
3,7-dimethyl-1-octanol	1.23
1-chlorooctane	0.16
1-chlorotetradecane	0.09
n-nonane	0.02
undecane	0.03
tert-butylcyclohexane	0.02
cyclooctane	0.0
cyclopentanol	1.45
tetrahydropyran	0.46
tert-amyl methyl ether	0.56
2,5,8-trioxanonane	22.38
1-hexene	0.07
2-isopropoxyethanol	12.71
2,2,2-trifluoroethanol	8.2
methyl butyrate	3.44

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