3-amino-5-[(Z)-1-cyano-2-(4-morpholin-4-ylphenyl)ethenyl]-1H-pyrazole-4-carbonitrile

Formula:C17H16N6O Mutagenic:high Tumorigenic:low Reproductive Effective:none 3-amino-5-[(Z)-1-cyano-2-(4-morpholin-4-ylphenyl)ethenyl]-1H-pyrazole-4-carbonitrile is a drug-like molecule.

MolName	3-amino-5-[(Z)-1-cyano-2-(4-morpholin-4-ylphenyl)ethenyl]-1H-pyrazole-4-carbonitrile
MolecularFormula	C17H16N6O
Smiles	Nc1n[nH]c(/C(/C#N)=C/c(cc2)ccc2N2CCOCC2)c1C#N
InChI	InChI=1S/C17H16N6O/c18-10-13(16-15(11-19)17(20)22-21-16)9-12-1-3-14(4-2-12)23-5-7-24-8-6-23/h1-4,9H,5-8H2,(H3,20,21,22)
InChIK	YAXFINUCBPRKAV-UHFFFAOYSA-N
TotalMolweight	320.355
Molweight	320.355
MonoisotopicMass	320.138559
CLogP	0.4589
CLogS	-3.703
H Acceptors	7
H Donors	2
TotalSurfaceArea	259.84
Relative PSA	0.31135
PolarSurfaceArea	114.75
Druglikeness	-1.2017
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Symmetricatoms	4
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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