2-(2-cyanoethyl)-5-phenyl-N-[(Z)-pyridin-4-ylmethylideneamino]pyrazole-3-carboxamide

Formula:C19H16N6O Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(2-cyanoethyl)-5-phenyl-N-[(Z)-pyridin-4-ylmethylideneamino]pyrazole-3-carboxamide is a drug-like molecule.

MolName	2-(2-cyanoethyl)-5-phenyl-N-[(Z)-pyridin-4-ylmethylideneamino]pyrazole-3-carboxamide
MolecularFormula	C19H16N6O
Smiles	N#CCCn(c(C(N/N=C\c1ccncc1)=O)c1)nc1-c1ccccc1
InChI	InChI=1S/C19H16N6O/c20-9-4-12-25-18(13-17(24-25)16-5-2-1-3-6-16)19(26)23-22-14-15-7-10-21-11-8-15/h1-3,5-8,10-11,13-14H,4,12H2,(H,23,26)
InChIK	DAQIQDVORJZBEU-UHFFFAOYSA-N
TotalMolweight	344.377
Molweight	344.377
MonoisotopicMass	344.138559
CLogP	2.0232
CLogS	-3.918
H Acceptors	7
H Donors	1
TotalSurfaceArea	282.7
Relative PSA	0.27726
PolarSurfaceArea	95.96
Druglikeness	-0.048814
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	3
StereoCon

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