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

Formula:C19H15N5O Mutagenic:none Tumorigenic:high Reproductive Effective:none 5-amino-3-[(E)-1-cyano-2-naphthalen-1-ylethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile is a drug-like molecule.

MolName	5-amino-3-[(E)-1-cyano-2-naphthalen-1-ylethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
MolecularFormula	C19H15N5O
Smiles	Nc(n(CCO)nc1/C(/C#N)=C\c2cccc3ccccc23)c1C#N
InChI	InChI=1S/C19H15N5O/c20-11-15(18-17(12-21)19(22)24(23-18)8-9-25)10-14-6-3-5-13-4-1-2-7-16(13)14/h1-7,10,25H,8-9,22H2
InChIK	ACYKMQHFKZVFEB-UHFFFAOYSA-N
TotalMolweight	329.362
Molweight	329.362
MonoisotopicMass	329.12766
CLogP	1.4823
CLogS	-4.898
H Acceptors	6
H Donors	2
TotalSurfaceArea	266.1
Relative PSA	0.27557
PolarSurfaceArea	111.65
Druglikeness	-0.7042
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52
Fragments	1
Non HAtoms	25
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	4
Aromatic Nitrogens	2
StereoCon

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