5-amino-3-[(E)-1-cyano-2-[2-(trifluoromethyl)phenyl]ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile

Formula:C16H12N5OF3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-amino-3-[(E)-1-cyano-2-[2-(trifluoromethyl)phenyl]ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile is a drug-like molecule.

MolName	5-amino-3-[(E)-1-cyano-2-[2-(trifluoromethyl)phenyl]ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
MolecularFormula	C16H12N5OF3
Smiles	Nc(n(CCO)nc1/C(/C#N)=C\c2c(C(F)(F)F)cccc2)c1C#N
InChI	InChI=1S/C16H12F3N5O/c17-16(18,19)13-4-2-1-3-10(13)7-11(8-20)14-12(9-21)15(22)24(23-14)5-6-25/h1-4,7,25H,5-6,22H2
InChIK	LHUMRPOXBRDYGH-UHFFFAOYSA-N
TotalMolweight	347.299
Molweight	347.299
MonoisotopicMass	347.099394
CLogP	1.1362
CLogS	-4.07
H Acceptors	6
H Donors	2
TotalSurfaceArea	260.96
Relative PSA	0.281
PolarSurfaceArea	111.65
Druglikeness	-7.8942
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48
Fragments	1
Non HAtoms	25
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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