5-amino-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1-phenylpyrazole-4-carboxamide

Formula:C18H15N5O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-amino-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1-phenylpyrazole-4-carboxamide is a drug-like molecule.

MolName	5-amino-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1-phenylpyrazole-4-carboxamide
MolecularFormula	C18H15N5O3
Smiles	Nc(n(-c1ccccc1)nc1)c1C(N/N=C\c(cc1)cc2c1OCO2)=O
InChI	InChI=1S/C18H15N5O3/c19-17-14(10-21-23(17)13-4-2-1-3-5-13)18(24)22-20-9-12-6-7-15-16(8-12)26-11-25-15/h1-10H,11,19H2,(H,22,24)
InChIK	KLQDCZHPNCLLKB-UHFFFAOYSA-N
TotalMolweight	349.349
Molweight	349.349
MonoisotopicMass	349.11749
CLogP	2.1559
CLogS	-4.768
H Acceptors	8
H Donors	2
TotalSurfaceArea	263.49
Relative PSA	0.33823
PolarSurfaceArea	103.76
Druglikeness	6.355
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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