3-(4-nitrophenyl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide

Formula:C19H13N5O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(4-nitrophenyl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide is a drug-like molecule.

MolName	3-(4-nitrophenyl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
MolecularFormula	C19H13N5O3S
Smiles	[O-][N+](c(cc1)ccc1-c(c(C(Nc1nccs1)=O)c1)nn1-c1ccccc1)=O
InChI	InChI=1S/C19H13N5O3S/c25-18(21-19-20-10-11-28-19)16-12-23(14-4-2-1-3-5-14)22-17(16)13-6-8-15(9-7-13)24(26)27/h1-12H,(H,20,21,25)
InChIK	LGUSOPLAXYKLBN-UHFFFAOYSA-N
TotalMolweight	391.41
Molweight	391.41
MonoisotopicMass	391.07391
CLogP	2.4298
CLogS	-4.834
H Acceptors	8
H Donors	1
TotalSurfaceArea	288.08
Relative PSA	0.36132
PolarSurfaceArea	133.87
Druglikeness	0.305
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; limit! thiazol-2-ylamine
Shape Index	0.46429
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	1
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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