5-amino-3-[(Z)-1-cyano-2-(1-phenylpyrazol-4-yl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile

Formula:C18H15N7O Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-amino-3-[(Z)-1-cyano-2-(1-phenylpyrazol-4-yl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile is a drug-like molecule.

MolName	5-amino-3-[(Z)-1-cyano-2-(1-phenylpyrazol-4-yl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
MolecularFormula	C18H15N7O
Smiles	Nc(n(CCO)nc1/C(/C#N)=C/c2cn(-c3ccccc3)nc2)c1C#N
InChI	InChI=1S/C18H15N7O/c19-9-14(17-16(10-20)18(21)24(23-17)6-7-26)8-13-11-22-25(12-13)15-4-2-1-3-5-15/h1-5,8,11-12,26H,6-7,21H2
InChIK	WBVNCIGXAJGAKP-UHFFFAOYSA-N
TotalMolweight	345.365
Molweight	345.365
MonoisotopicMass	345.133808
CLogP	-0.5433
CLogS	-3.027
H Acceptors	8
H Donors	2
TotalSurfaceArea	279.22
Relative PSA	0.32652
PolarSurfaceArea	129.47
Druglikeness	0.17604
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	4
StereoCon

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