Molecular formula
C12H14N2

SMILES
C1=CC=C(C=C1)CCCC2=CC=NN2

Fragrance
Roasted	56.87%
Burnt	46.34%
Nutty	42.38%
Earthy	41.92%
Meaty	35.42%
Cooked	30.39%
Animal	29.6%
Coffee	29.06%
Musty	28.38%
Vegetable	25.84%

 

Flavor
Green	63.21%
Waxy	37.86%
Fruity	36.19%
Earthy	30.17%
Herbal	29.59%
Floral	28.73%
Fatty	27.82%
Mushroom	24.74%
Musty	24.28%
Oily	24.22%

 

Odor impact est.
Medium

XLogP3-AA
2.8

pKa est.
6.99 (neutral)

Molecular weight
186.25 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
347°C

Flash point

• 169.79 ˚C est.

• SCHEMBL21436163

5-(3-phenylpropyl)-1H-pyrazole is primarily used as a synthetic intermediate for the preparation of bioactive pyrazole derivatives. In pharmaceutical R&D, it is commonly evaluated as a building block for designing small-molecule leads and enzyme inhibitors based on the pyrazole scaffold. In agrochemical research, it serves as a precursor for pyrazole-based candidates and as a motif in structure-activity investigations. In materials science and polymer chemistry, it can be employed as a functionalized heterocyclic unit or a component of monomer designs for specialty polymers. In coordination chemistry and catalysis, the pyrazole ring can act as a donor ligand to transition metals, enabling development of novel catalysts and metal–organic frameworks. In coatings, inks, and adhesives, such pyrazole derivatives may be explored as functional additives or crosslinking agents to improve thermal stability and adhesion.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	118.79
methanol	206.1
isopropanol	54.92
water	0.14
ethyl acetate	133.01
n-propanol	88.79
acetone	267.9
n-butanol	73.44
acetonitrile	83.04
DMF	251.43
toluene	43.18
isobutanol	52.35
1,4-dioxane	250.25
methyl acetate	125.56
THF	348.59
2-butanone	184.69
n-pentanol	81.96
sec-butanol	53.1
n-hexane	5.51
ethylene glycol	54.44
NMP	119.15
cyclohexane	4.28
DMSO	497.19
n-butyl acetate	82.12
n-octanol	15.99
chloroform	252.47
n-propyl acetate	82.62
acetic acid	109.89
dichloromethane	231.34
cyclohexanone	152.39
propylene glycol	76.01
isopropyl acetate	70.38
DMAc	310.47
2-ethoxyethanol	191.56
isopentanol	71.21
n-heptane	4.47
ethyl formate	62.4
1,2-dichloroethane	189.35
n-hexanol	61.16
2-methoxyethanol	257.33
isobutyl acetate	70.55
tetrachloromethane	19.77
n-pentyl acetate	36.46
transcutol	956.59
n-heptanol	21.52
ethylbenzene	24.02
MIBK	79.17
2-propoxyethanol	154.65
tert-butanol	67.31
MTBE	89.84
2-butoxyethanol	65.2
propionic acid	72.56
o-xylene	26.25
formic acid	58.02
diethyl ether	147.94
m-xylene	28.94
p-xylene	32.12
chlorobenzene	72.61
dimethyl carbonate	65.16
n-octane	1.69
formamide	93.24
cyclopentanone	209.05
2-pentanone	129.22
anisole	90.51
cyclopentyl methyl ether	103.51
gamma-butyrolactone	200.55
1-methoxy-2-propanol	161.91
pyridine	167.25
3-pentanone	119.99
furfural	179.13
n-dodecane	1.64
diethylene glycol	155.09
diisopropyl ether	29.54
tert-amyl alcohol	58.95
acetylacetone	159.39
n-hexadecane	1.89
acetophenone	80.87
methyl propionate	125.09
isopentyl acetate	77.62
trichloroethylene	331.48
n-nonanol	17.91
cyclohexanol	46.11
benzyl alcohol	72.92
2-ethylhexanol	40.1
isooctanol	21.11
dipropyl ether	68.78
1,2-dichlorobenzene	66.55
ethyl lactate	48.05
propylene carbonate	96.51
n-methylformamide	109.16
2-pentanol	43.32
n-pentane	3.32
1-propoxy-2-propanol	99.92
1-methoxy-2-propyl acetate	112.24
2-(2-methoxypropoxy) propanol	104.96
mesitylene	18.49
ε-caprolactone	111.4
p-cymene	18.74
epichlorohydrin	286.56
1,1,1-trichloroethane	97.57
2-aminoethanol	88.08
morpholine-4-carbaldehyde	197.78
sulfolane	216.68
2,2,4-trimethylpentane	4.74
2-methyltetrahydrofuran	154.5
n-hexyl acetate	48.93
isooctane	3.53
2-(2-butoxyethoxy)ethanol	148.93
sec-butyl acetate	59.42
tert-butyl acetate	79.93
decalin	5.89
glycerin	113.93
diglyme	259.35
acrylic acid	75.01
isopropyl myristate	24.96
n-butyric acid	94.86
acetyl acetate	68.51
di(2-ethylhexyl) phthalate	34.67
ethyl propionate	71.17
nitromethane	223.59
1,2-diethoxyethane	195.1
benzonitrile	65.54
trioctyl phosphate	18.44
1-bromopropane	74.5
gamma-valerolactone	239.01
n-decanol	15.05
triethyl phosphate	39.16
4-methyl-2-pentanol	35.24
propionitrile	71.51
vinylene carbonate	90.17
1,1,2-trichlorotrifluoroethane	185.99
DMS	74.07
cumene	20.62
2-octanol	11.9
2-hexanone	94.53
octyl acetate	29.38
limonene	26.44
1,2-dimethoxyethane	257.43
ethyl orthosilicate	39.3
tributyl phosphate	27.11
diacetone alcohol	94.28
N,N-dimethylaniline	58.53
acrylonitrile	88.09
aniline	74.03
1,3-propanediol	95.89
bromobenzene	68.31
dibromomethane	123.97
1,1,2,2-tetrachloroethane	241.91
2-methyl-cyclohexyl acetate	58.86
tetrabutyl urea	35.03
diisobutyl methanol	25.86
2-phenylethanol	62.04
styrene	35.43
dioctyl adipate	43.49
dimethyl sulfate	105.16
ethyl butyrate	66.95
methyl lactate	67.26
butyl lactate	43.06
diethyl carbonate	51.66
propanediol butyl ether	65.78
triethyl orthoformate	54.77
p-tert-butyltoluene	18.43
methyl 4-tert-butylbenzoate	59.3
morpholine	259.68
tert-butylamine	38.95
n-dodecanol	12.85
dimethoxymethane	236.53
ethylene carbonate	74.09
cyrene	83.8
2-ethoxyethyl acetate	91.19
2-ethylhexyl acetate	58.97
1,2,4-trichlorobenzene	88.14
4-methylpyridine	115.95
dibutyl ether	43.7
2,6-dimethyl-4-heptanol	25.86
DEF	131.2
dimethyl isosorbide	137.12
tetrachloroethylene	145.82
eugenol	67.53
triacetin	80.86
span 80	65.64
1,4-butanediol	61.47
1,1-dichloroethane	124.3
2-methyl-1-pentanol	76.57
methyl formate	82.57
2-methyl-1-butanol	60.81
n-decane	2.42
butyronitrile	66.56
3,7-dimethyl-1-octanol	30.15
1-chlorooctane	13.06
1-chlorotetradecane	6.5
n-nonane	2.1
undecane	1.93
tert-butylcyclohexane	6.33
cyclooctane	1.91
cyclopentanol	46.01
tetrahydropyran	165.83
tert-amyl methyl ether	65.91
2,5,8-trioxanonane	183.67
1-hexene	34.57
2-isopropoxyethanol	121.26
2,2,2-trifluoroethanol	39.01
methyl butyrate	88.48

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