Molecular formula
C14H15FN4O2

SMILES
C=C1C(C(=O)NN1)CCC(=O)N/N=C\C2=CC=C(C=C2)F

Fragrance
Odorless	52.66%
Meaty	33.4%
Savory	32.43%
Cooked	28.91%
Roasted	28.58%
Popcorn	22.44%
Burnt	22.08%
Nutty	21.02%
Bitter	20.53%
Pungent	19.46%

 

Flavor
Bitter	80.72%
Odorless	38.48%
Bland	21.64%
Nitrile	20.66%
Sweet-like	19.5%
Taco	19.33%
Mild	19.23%
Bread crust	18.92%
Cedarleaf	18.81%
Roasted peanuts	18.77%

 

Odor impact est.
Odorless

XLogP3-AA
1.4

pKa est.
7.74 (neutral)

Molecular weight
290.29 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
727°C

Flash point

• 219.97 ˚C est.

N-[(Z)-(4-fluorophenyl)methylideneamino]-3-(3-methylidene-5-oxopyrazolidin-4-yl)propanamide is primarily a pharmaceutical synthesis intermediate and a scaffold for asymmetric synthesis, with the pyrazolidinone-derived fragment providing stereochemical control; it is commonly used as a precursor for pyrazolidinone-based derivatives in API development, and is viewed as a building block for designing and optimizing compounds with biological activity in medicinal chemistry research; it can also serve as a reagent for imine/ Schiff-base formation in advanced organic synthesis sequences.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	5.74
methanol	15.67
isopropanol	3.02
water	0.05
ethyl acetate	1.96
n-propanol	4.87
acetone	9.77
n-butanol	3.74
acetonitrile	4.16
DMF	47.27
toluene	0.38
isobutanol	2.5
1,4-dioxane	4.68
methyl acetate	3.88
THF	13.33
2-butanone	10.42
n-pentanol	2.91
sec-butanol	3.21
n-hexane	0.05
ethylene glycol	4.62
NMP	34.73
cyclohexane	0.02
DMSO	77.88
n-butyl acetate	1.49
n-octanol	0.79
chloroform	2.02
n-propyl acetate	2.25
acetic acid	18.18
dichloromethane	3.23
cyclohexanone	8.9
propylene glycol	9.08
isopropyl acetate	1.38
DMAc	84.7
2-ethoxyethanol	23.86
isopentanol	3.0
n-heptane	0.04
ethyl formate	4.11
1,2-dichloroethane	1.93
n-hexanol	1.27
2-methoxyethanol	43.74
isobutyl acetate	1.09
tetrachloromethane	0.15
n-pentyl acetate	1.45
transcutol	87.75
n-heptanol	1.12
ethylbenzene	0.33
MIBK	2.59
2-propoxyethanol	14.82
tert-butanol	2.39
MTBE	1.02
2-butoxyethanol	8.55
propionic acid	6.56
o-xylene	0.37
formic acid	25.19
diethyl ether	1.05
m-xylene	0.35
p-xylene	0.5
chlorobenzene	0.52
dimethyl carbonate	3.28
n-octane	0.02
formamide	39.72
cyclopentanone	14.94
2-pentanone	4.94
anisole	2.23
cyclopentyl methyl ether	1.72
gamma-butyrolactone	15.32
1-methoxy-2-propanol	24.38
pyridine	6.36
3-pentanone	3.35
furfural	22.52
n-dodecane	0.02
diethylene glycol	20.36
diisopropyl ether	0.22
tert-amyl alcohol	2.74
acetylacetone	6.88
n-hexadecane	0.03
acetophenone	3.91
methyl propionate	3.58
isopentyl acetate	1.6
trichloroethylene	5.33
n-nonanol	0.91
cyclohexanol	1.64
benzyl alcohol	4.33
2-ethylhexanol	0.75
isooctanol	0.93
dipropyl ether	0.98
1,2-dichlorobenzene	0.7
ethyl lactate	5.17
propylene carbonate	5.29
n-methylformamide	22.71
2-pentanol	1.56
n-pentane	0.03
1-propoxy-2-propanol	7.7
1-methoxy-2-propyl acetate	4.92
2-(2-methoxypropoxy) propanol	14.36
mesitylene	0.22
ε-caprolactone	8.02
p-cymene	0.3
epichlorohydrin	18.3
1,1,1-trichloroethane	0.66
2-aminoethanol	10.61
morpholine-4-carbaldehyde	36.95
sulfolane	30.84
2,2,4-trimethylpentane	0.03
2-methyltetrahydrofuran	3.2
n-hexyl acetate	1.97
isooctane	0.02
2-(2-butoxyethoxy)ethanol	17.96
sec-butyl acetate	1.28
tert-butyl acetate	1.71
decalin	0.03
glycerin	22.0
diglyme	34.98
acrylic acid	9.73
isopropyl myristate	0.81
n-butyric acid	6.18
acetyl acetate	1.68
di(2-ethylhexyl) phthalate	2.11
ethyl propionate	2.21
nitromethane	34.94
1,2-diethoxyethane	4.89
benzonitrile	2.58
trioctyl phosphate	1.1
1-bromopropane	0.67
gamma-valerolactone	37.35
n-decanol	0.67
triethyl phosphate	1.91
4-methyl-2-pentanol	0.93
propionitrile	2.98
vinylene carbonate	5.55
1,1,2-trichlorotrifluoroethane	24.89
DMS	3.09
cumene	0.29
2-octanol	0.57
2-hexanone	3.98
octyl acetate	1.17
limonene	0.38
1,2-dimethoxyethane	24.28
ethyl orthosilicate	1.68
tributyl phosphate	1.56
diacetone alcohol	7.44
N,N-dimethylaniline	1.93
acrylonitrile	5.76
aniline	1.81
1,3-propanediol	13.13
bromobenzene	0.38
dibromomethane	1.14
1,1,2,2-tetrachloroethane	3.83
2-methyl-cyclohexyl acetate	2.0
tetrabutyl urea	3.1
diisobutyl methanol	0.51
2-phenylethanol	2.64
styrene	0.37
dioctyl adipate	2.33
dimethyl sulfate	9.77
ethyl butyrate	1.98
methyl lactate	10.78
butyl lactate	3.99
diethyl carbonate	1.55
propanediol butyl ether	10.08
triethyl orthoformate	2.12
p-tert-butyltoluene	0.27
methyl 4-tert-butylbenzoate	5.2
morpholine	10.08
tert-butylamine	0.67
n-dodecanol	0.47
dimethoxymethane	18.01
ethylene carbonate	3.33
cyrene	16.83
2-ethoxyethyl acetate	4.59
2-ethylhexyl acetate	1.08
1,2,4-trichlorobenzene	1.24
4-methylpyridine	4.35
dibutyl ether	0.98
2,6-dimethyl-4-heptanol	0.51
DEF	8.51
dimethyl isosorbide	16.87
tetrachloroethylene	2.0
eugenol	7.87
triacetin	6.1
span 80	7.26
1,4-butanediol	5.57
1,1-dichloroethane	0.89
2-methyl-1-pentanol	2.61
methyl formate	12.12
2-methyl-1-butanol	3.16
n-decane	0.04
butyronitrile	2.67
3,7-dimethyl-1-octanol	0.88
1-chlorooctane	0.21
1-chlorotetradecane	0.09
n-nonane	0.03
undecane	0.03
tert-butylcyclohexane	0.03
cyclooctane	0.01
cyclopentanol	2.31
tetrahydropyran	1.69
tert-amyl methyl ether	1.25
2,5,8-trioxanonane	24.72
1-hexene	0.28
2-isopropoxyethanol	9.66
2,2,2-trifluoroethanol	6.49
methyl butyrate	3.78

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