3-naphthalen-2-yl-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-1H-pyrazole-5-carboxamide

Formula:C23H17N5O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-naphthalen-2-yl-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-1H-pyrazole-5-carboxamide is a drug-like molecule.

MolName	3-naphthalen-2-yl-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
MolecularFormula	C23H17N5O3
Smiles	[O-][N+](c1c(/C=C/C=N\NC(c2cc(-c3cc4ccccc4cc3)n[nH]2)=O)cccc1)=O
InChI	InChI=1S/C23H17N5O3/c29-23(27-24-13-5-9-17-7-3-4-10-22(17)28(30)31)21-15-20(25-26-21)19-12-11-16-6-1-2-8-18(16)14-19/h1-15H,(H,25,26)(H,27,29)
InChIK	BJLVCMDCMPWTLF-UHFFFAOYSA-N
TotalMolweight	411.42
Molweight	411.42
MonoisotopicMass	411.13314
CLogP	3.1905
CLogS	-6.454
H Acceptors	8
H Donors	2
TotalSurfaceArea	319.85
Relative PSA	0.28573
PolarSurfaceArea	115.96
Druglikeness	0.52448
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.6129
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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