3-(1,3-benzodioxol-5-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide

Formula:C20H16N4O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(1,3-benzodioxol-5-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide is a drug-like molecule.

MolName	3-(1,3-benzodioxol-5-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
MolecularFormula	C20H16N4O3
Smiles	O=C(c1cc(-c(cc2)cc3c2OCO3)n[nH]1)N/N=C\C=C\c1ccccc1
InChI	InChI=1S/C20H16N4O3/c25-20(24-21-10-4-7-14-5-2-1-3-6-14)17-12-16(22-23-17)15-8-9-18-19(11-15)27-13-26-18/h1-12H,13H2,(H,22,23)(H,24,25)
InChIK	CFPITLRUBFWWPK-UHFFFAOYSA-N
TotalMolweight	360.372
Molweight	360.372
MonoisotopicMass	360.122241
CLogP	3.0291
CLogS	-5.099
H Acceptors	7
H Donors	2
TotalSurfaceArea	281.84
Relative PSA	0.28729
PolarSurfaceArea	88.6
Druglikeness	5.5039
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.66667
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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