4-(2-hydroxyethyl)-5-oxo-N-[(Z)-pyridin-2-ylmethylideneamino]-1,2-dihydropyrazole-3-carboxamide

Formula:C12H13N5O3 Mutagenic:low Tumorigenic:none Reproductive Effective:low 4-(2-hydroxyethyl)-5-oxo-N-[(Z)-pyridin-2-ylmethylideneamino]-1,2-dihydropyrazole-3-carboxamide is a drug-like molecule.

MolName	4-(2-hydroxyethyl)-5-oxo-N-[(Z)-pyridin-2-ylmethylideneamino]-1,2-dihydropyrazole-3-carboxamide
MolecularFormula	C12H13N5O3
Smiles	OCCC1=C(C(N/N=C\c2ncccc2)=O)NNC1=O
InChI	InChI=1S/C12H13N5O3/c18-6-4-9-10(15-17-11(9)19)12(20)16-14-7-8-3-1-2-5-13-8/h1-3,5,7,18H,4,6H2,(H,16,20)(H2,15,17,19)
InChIK	IVVCHIAGJQBWFL-UHFFFAOYSA-N
TotalMolweight	275.267
Molweight	275.267
MonoisotopicMass	275.10184
CLogP	-1.6022
CLogS	-1.967
H Acceptors	8
H Donors	4
TotalSurfaceArea	209.95
Relative PSA	0.45744
PolarSurfaceArea	115.71
Druglikeness	4.2314
Mutagenic	low
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.65
Fragments	1
Non HAtoms	20
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	3
Aromatic Nitrogens	1
StereoCon

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