Molecular formula
C16H14N4O

SMILES
C1=CC=C(C=C1)C2=NN(C(=C2)N)C(=O)NC3=CC=CC=C3

Fragrance
Fruity	49.07%
Grape	42.47%
Odorless	36.51%
Cooked	30.14%
Cheesy	28.2%
Ripe	24.39%
Bitter	24.24%
Meaty	24.16%
Animal	23.31%
Savory	22.53%

 

Flavor
Bitter	72.46%
Odorless	33.16%
Mild	25.21%
Nitrile	21.18%
Very strong	20.41%
Indole	20.07%
Orange flower	19.88%
Moth ball	19.83%
Scallion	19.53%
Naphthelene	19.52%

 

Odor impact est.
Low

XLogP3-AA
3.4

pKa est.
4.82 (weak acid)

Molecular weight
278.31 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
725°C

Flash point

• 249.02 ˚C est.

• InChI=1/C16H14N4O/c17-15-11-14(12-7-3-1-4-8-12)19-20(15)16(21)18-13-9-5-2-6-10-13/h1-11H,17H2,(H,18,21

5-amino-N,3-diphenylpyrazole-1-carboxamide (CAS number: ) is primarily used as an organic building block in pyrazole chemistry, often evaluated as an intermediate for the synthesis of pyrazole-based heterocycles and as a scaffold for library generation in pharmaceutical research; it may also serve as a ligand or co-catalyst component in catalytic applications; in materials science it can function as a building block for functional polymers and specialty coatings; in dye and pigment chemistry it can be pursued as a precursor for coatings and inks, and in industrial R&D it is occasionally explored as a starting point for agrochemical research, all subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	39.43
methanol	65.01
isopropanol	13.83
water	0.1
ethyl acetate	27.67
n-propanol	26.35
acetone	132.77
n-butanol	15.93
acetonitrile	31.06
DMF	693.78
toluene	2.61
isobutanol	11.49
1,4-dioxane	36.05
methyl acetate	40.19
THF	222.82
2-butanone	69.63
n-pentanol	12.55
sec-butanol	10.56
n-hexane	0.03
ethylene glycol	31.84
NMP	299.24
cyclohexane	0.04
DMSO	979.75
n-butyl acetate	14.46
n-octanol	2.21
chloroform	30.31
n-propyl acetate	16.44
acetic acid	89.23
dichloromethane	38.59
cyclohexanone	72.4
propylene glycol	53.21
isopropyl acetate	10.77
DMAc	459.33
2-ethoxyethanol	50.62
isopentanol	11.16
n-heptane	0.06
ethyl formate	38.24
1,2-dichloroethane	35.46
n-hexanol	8.3
2-methoxyethanol	190.47
isobutyl acetate	8.02
tetrachloromethane	1.12
n-pentyl acetate	7.59
transcutol	74.36
n-heptanol	4.71
ethylbenzene	1.21
MIBK	13.72
2-propoxyethanol	45.77
tert-butanol	9.82
MTBE	3.03
2-butoxyethanol	24.05
propionic acid	46.85
o-xylene	1.45
formic acid	75.35
diethyl ether	3.31
m-xylene	1.5
p-xylene	2.15
chlorobenzene	11.4
dimethyl carbonate	51.8
n-octane	0.03
formamide	179.13
cyclopentanone	224.2
2-pentanone	38.73
anisole	10.46
cyclopentyl methyl ether	14.39
gamma-butyrolactone	233.62
1-methoxy-2-propanol	96.43
pyridine	82.75
3-pentanone	21.93
furfural	171.93
n-dodecane	0.07
diethylene glycol	59.58
diisopropyl ether	0.59
tert-amyl alcohol	7.73
acetylacetone	71.51
n-hexadecane	0.08
acetophenone	19.98
methyl propionate	53.83
isopentyl acetate	11.93
trichloroethylene	97.48
n-nonanol	2.67
cyclohexanol	7.01
benzyl alcohol	20.82
2-ethylhexanol	4.36
isooctanol	3.71
dipropyl ether	3.61
1,2-dichlorobenzene	10.77
ethyl lactate	22.28
propylene carbonate	77.57
n-methylformamide	207.38
2-pentanol	4.71
n-pentane	0.02
1-propoxy-2-propanol	25.79
1-methoxy-2-propyl acetate	28.22
2-(2-methoxypropoxy) propanol	24.59
mesitylene	0.81
ε-caprolactone	52.64
p-cymene	1.66
epichlorohydrin	233.58
1,1,1-trichloroethane	8.88
2-aminoethanol	57.17
morpholine-4-carbaldehyde	142.35
sulfolane	322.89
2,2,4-trimethylpentane	0.06
2-methyltetrahydrofuran	35.99
n-hexyl acetate	7.86
isooctane	0.04
2-(2-butoxyethoxy)ethanol	31.99
sec-butyl acetate	7.61
tert-butyl acetate	10.18
decalin	0.07
glycerin	102.4
diglyme	64.15
acrylic acid	70.62
isopropyl myristate	3.63
n-butyric acid	44.9
acetyl acetate	19.86
di(2-ethylhexyl) phthalate	9.5
ethyl propionate	15.6
nitromethane	269.42
1,2-diethoxyethane	11.35
benzonitrile	21.97
trioctyl phosphate	5.47
1-bromopropane	4.24
gamma-valerolactone	222.23
n-decanol	2.18
triethyl phosphate	9.12
4-methyl-2-pentanol	3.17
propionitrile	22.74
vinylene carbonate	68.79
1,1,2-trichlorotrifluoroethane	160.77
DMS	20.36
cumene	1.0
2-octanol	1.88
2-hexanone	19.41
octyl acetate	5.8
limonene	2.12
1,2-dimethoxyethane	65.96
ethyl orthosilicate	6.93
tributyl phosphate	6.32
diacetone alcohol	31.32
N,N-dimethylaniline	6.68
acrylonitrile	57.03
aniline	17.85
1,3-propanediol	59.82
bromobenzene	7.7
dibromomethane	13.65
1,1,2,2-tetrachloroethane	68.4
2-methyl-cyclohexyl acetate	11.23
tetrabutyl urea	10.78
diisobutyl methanol	2.25
2-phenylethanol	16.76
styrene	1.93
dioctyl adipate	9.7
dimethyl sulfate	107.03
ethyl butyrate	12.35
methyl lactate	72.0
butyl lactate	14.48
diethyl carbonate	10.96
propanediol butyl ether	20.78
triethyl orthoformate	9.65
p-tert-butyltoluene	1.42
methyl 4-tert-butylbenzoate	17.82
morpholine	69.76
tert-butylamine	2.45
n-dodecanol	1.71
dimethoxymethane	151.34
ethylene carbonate	47.22
cyrene	42.52
2-ethoxyethyl acetate	16.59
2-ethylhexyl acetate	8.41
1,2,4-trichlorobenzene	19.11
4-methylpyridine	42.91
dibutyl ether	2.01
2,6-dimethyl-4-heptanol	2.25
DEF	54.99
dimethyl isosorbide	44.73
tetrachloroethylene	26.91
eugenol	23.5
triacetin	17.85
span 80	19.05
1,4-butanediol	18.73
1,1-dichloroethane	12.87
2-methyl-1-pentanol	9.62
methyl formate	136.56
2-methyl-1-butanol	10.45
n-decane	0.08
butyronitrile	18.76
3,7-dimethyl-1-octanol	2.87
1-chlorooctane	0.69
1-chlorotetradecane	0.42
n-nonane	0.05
undecane	0.07
tert-butylcyclohexane	0.07
cyclooctane	0.01
cyclopentanol	21.77
tetrahydropyran	16.93
tert-amyl methyl ether	3.15
2,5,8-trioxanonane	44.82
1-hexene	0.39
2-isopropoxyethanol	23.98
2,2,2-trifluoroethanol	34.73
methyl butyrate	24.8

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