Molecular formula
C20H22N2O4

SMILES
CC1=NN(C(C1)(C2=CC=C(C=C2)OC)O)C(=O)CCC3=CC=CC=C3O

Fragrance
Odorless	52.54%
Sweet	32.78%
Savory	25.58%
Vanilla	24.38%
Milky	21.59%
Bitter	20.59%
Spicy	20.11%
Cooling	20.03%
Animal	18.31%
Meaty	18.19%

 

Flavor
Bitter	80.21%
Odorless	32.75%
Bland	23.22%
Sweet-like	21.0%
Mild	20.29%
Cedarleaf	20.12%
Orange flower	19.88%
Lovage	19.67%
Orange blossom	19.42%
Parsley	19.36%

 

Odor impact est.
Odorless

XLogP3-AA
2.3

pKa est.
7.68 (neutral)

Molecular weight
354.4 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
633°C

Flash point

• 228.08 ˚C est.

1-[5-hydroxy-5-(4-methoxyphenyl)-3-methyl-4H-pyrazol-1-yl]-3-(2-hydroxyphenyl)propan-1-one is primarily viewed as a synthetic intermediate for heterocyclic compounds in pharmaceutical R&D. Its hydroxy- and methoxy-substituted phenyl rings also make it a potential precursor for fragrance and cosmetic ingredients. Additionally, the pyrazole-phenyl-ketone scaffold could be explored as a building block for specialty polymers, coatings formulations, or colorant systems in materials applications. It may also be considered as an intermediate in the industrial manufacture of fine chemicals, subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	11.12
methanol	29.67
isopropanol	7.43
water	0.04
ethyl acetate	12.73
n-propanol	11.08
acetone	48.02
n-butanol	8.34
acetonitrile	19.92
DMF	122.03
toluene	3.98
isobutanol	6.16
1,4-dioxane	39.83
methyl acetate	17.88
THF	131.83
2-butanone	28.11
n-pentanol	8.1
sec-butanol	6.09
n-hexane	0.07
ethylene glycol	8.16
NMP	69.45
cyclohexane	0.13
DMSO	236.18
n-butyl acetate	7.72
n-octanol	4.0
chloroform	59.59
n-propyl acetate	9.26
acetic acid	51.5
dichloromethane	68.44
cyclohexanone	50.6
propylene glycol	13.27
isopropyl acetate	9.04
DMAc	163.36
2-ethoxyethanol	38.74
isopentanol	7.14
n-heptane	0.1
ethyl formate	13.98
1,2-dichloroethane	30.53
n-hexanol	4.83
2-methoxyethanol	72.95
isobutyl acetate	7.48
tetrachloromethane	1.51
n-pentyl acetate	7.77
transcutol	87.16
n-heptanol	4.62
ethylbenzene	2.08
MIBK	11.55
2-propoxyethanol	41.71
tert-butanol	9.05
MTBE	4.34
2-butoxyethanol	20.33
propionic acid	17.16
o-xylene	2.22
formic acid	34.06
diethyl ether	4.45
m-xylene	2.02
p-xylene	3.14
chlorobenzene	12.07
dimethyl carbonate	25.78
n-octane	0.08
formamide	56.12
cyclopentanone	80.15
2-pentanone	17.6
anisole	14.35
cyclopentyl methyl ether	12.57
gamma-butyrolactone	85.33
1-methoxy-2-propanol	49.6
pyridine	39.77
3-pentanone	13.77
furfural	76.71
n-dodecane	0.17
diethylene glycol	48.85
diisopropyl ether	1.06
tert-amyl alcohol	6.42
acetylacetone	41.74
n-hexadecane	0.2
acetophenone	19.4
methyl propionate	19.04
isopentyl acetate	9.19
trichloroethylene	83.84
n-nonanol	4.86
cyclohexanol	6.92
benzyl alcohol	18.4
2-ethylhexanol	3.55
isooctanol	4.31
dipropyl ether	4.37
1,2-dichlorobenzene	12.39
ethyl lactate	15.98
propylene carbonate	31.04
n-methylformamide	42.12
2-pentanol	3.45
n-pentane	0.05
1-propoxy-2-propanol	23.57
1-methoxy-2-propyl acetate	23.43
2-(2-methoxypropoxy) propanol	29.6
mesitylene	1.14
ε-caprolactone	34.86
p-cymene	1.98
epichlorohydrin	104.46
1,1,1-trichloroethane	11.72
2-aminoethanol	15.84
morpholine-4-carbaldehyde	89.5
sulfolane	123.99
2,2,4-trimethylpentane	0.09
2-methyltetrahydrofuran	20.14
n-hexyl acetate	10.38
isooctane	0.06
2-(2-butoxyethoxy)ethanol	32.81
sec-butyl acetate	6.56
tert-butyl acetate	11.31
decalin	0.17
glycerin	34.23
diglyme	64.24
acrylic acid	25.35
isopropyl myristate	5.24
n-butyric acid	18.51
acetyl acetate	15.36
di(2-ethylhexyl) phthalate	9.92
ethyl propionate	10.57
nitromethane	107.45
1,2-diethoxyethane	16.75
benzonitrile	20.76
trioctyl phosphate	5.8
1-bromopropane	5.94
gamma-valerolactone	115.92
n-decanol	3.73
triethyl phosphate	8.88
4-methyl-2-pentanol	3.05
propionitrile	16.38
vinylene carbonate	38.4
1,1,2-trichlorotrifluoroethane	76.8
DMS	19.06
cumene	1.59
2-octanol	2.82
2-hexanone	14.57
octyl acetate	6.8
limonene	2.47
1,2-dimethoxyethane	54.87
ethyl orthosilicate	7.8
tributyl phosphate	7.04
diacetone alcohol	23.3
N,N-dimethylaniline	8.52
acrylonitrile	32.9
aniline	12.35
1,3-propanediol	23.34
bromobenzene	10.71
dibromomethane	23.36
1,1,2,2-tetrachloroethane	50.44
2-methyl-cyclohexyl acetate	10.94
tetrabutyl urea	11.59
diisobutyl methanol	2.72
2-phenylethanol	15.15
styrene	3.09
dioctyl adipate	12.41
dimethyl sulfate	53.55
ethyl butyrate	8.98
methyl lactate	28.31
butyl lactate	13.15
diethyl carbonate	8.41
propanediol butyl ether	18.11
triethyl orthoformate	9.81
p-tert-butyltoluene	1.78
methyl 4-tert-butylbenzoate	20.93
morpholine	46.01
tert-butylamine	2.2
n-dodecanol	2.8
dimethoxymethane	76.81
ethylene carbonate	26.73
cyrene	38.42
2-ethoxyethyl acetate	18.29
2-ethylhexyl acetate	6.72
1,2,4-trichlorobenzene	17.71
4-methylpyridine	27.35
dibutyl ether	4.81
2,6-dimethyl-4-heptanol	2.72
DEF	26.69
dimethyl isosorbide	49.81
tetrachloroethylene	23.22
eugenol	25.5
triacetin	24.06
span 80	19.26
1,4-butanediol	10.37
1,1-dichloroethane	16.27
2-methyl-1-pentanol	7.29
methyl formate	39.72
2-methyl-1-butanol	6.46
n-decane	0.26
butyronitrile	12.43
3,7-dimethyl-1-octanol	4.68
1-chlorooctane	1.89
1-chlorotetradecane	0.9
n-nonane	0.17
undecane	0.21
tert-butylcyclohexane	0.15
cyclooctane	0.05
cyclopentanol	10.35
tetrahydropyran	16.7
tert-amyl methyl ether	4.42
2,5,8-trioxanonane	51.41
1-hexene	0.65
2-isopropoxyethanol	22.21
2,2,2-trifluoroethanol	19.27
methyl butyrate	14.21

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