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

Formula:C15H13N5O Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-amino-3-[(E)-1-cyano-2-phenylethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile is a drug-like molecule.

MolName	5-amino-3-[(E)-1-cyano-2-phenylethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
MolecularFormula	C15H13N5O
Smiles	Nc(n(CCO)nc1/C(/C#N)=C\c2ccccc2)c1C#N
InChI	InChI=1S/C15H13N5O/c16-9-12(8-11-4-2-1-3-5-11)14-13(10-17)15(18)20(19-14)6-7-21/h1-5,8,21H,6-7,18H2
InChIK	YYMAOMQXVYFXEW-UHFFFAOYSA-N
TotalMolweight	279.302
Molweight	279.302
MonoisotopicMass	279.11201
CLogP	0.2879
CLogS	-3.292
H Acceptors	6
H Donors	2
TotalSurfaceArea	231.5
Relative PSA	0.31676
PolarSurfaceArea	111.65
Druglikeness	-0.7042
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	21
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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