[(Z)-(4-cyanophenyl)methylideneamino] 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylate

Formula:C19H11N4O2F3 Mutagenic:high Tumorigenic:none Reproductive Effective:low [(Z)-(4-cyanophenyl)methylideneamino] 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylate is a drug-like molecule.

MolName	[(Z)-(4-cyanophenyl)methylideneamino] 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylate
MolecularFormula	C19H11N4O2F3
Smiles	N#Cc1ccc(/C=N\OC(c2c(C(F)(F)F)n(-c3ccccc3)nc2)=O)cc1
InChI	InChI=1S/C19H11F3N4O2/c20-19(21,22)17-16(12-24-26(17)15-4-2-1-3-5-15)18(27)28-25-11-14-8-6-13(10-23)7-9-14/h1-9,11-12H
InChIK	RUCQPTTTXIZMKD-UHFFFAOYSA-N
TotalMolweight	384.316
Molweight	384.316
MonoisotopicMass	384.08341
CLogP	3.8248
CLogS	-5.081
H Acceptors	6
TotalSurfaceArea	284.42
Relative PSA	0.23188
PolarSurfaceArea	80.27
Druglikeness	-10.498
Mutagenic	high
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	6
Aromatic Nitrogens	2
StereoCon

Click to Load Molecule:

1 - [(Z)-(4-cyanophenyl)methylideneamino] 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylate | 2 - [(Z)-(4-cyanophenyl)methylideneamino] 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylate

Request More Details | [(Z)-(4-cyanophenyl)methylideneamino] 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments