N-[(Z)-benzylideneamino]-3-[4-(2-phenylethoxy)phenyl]-1H-pyrazole-5-carboxamide

Formula:C25H22N4O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-benzylideneamino]-3-[4-(2-phenylethoxy)phenyl]-1H-pyrazole-5-carboxamide is a drug-like molecule.

MolName	N-[(Z)-benzylideneamino]-3-[4-(2-phenylethoxy)phenyl]-1H-pyrazole-5-carboxamide
MolecularFormula	C25H22N4O2
Smiles	O=C(c1cc(-c(cc2)ccc2OCCc2ccccc2)n[nH]1)N/N=C\c1ccccc1
InChI	InChI=1S/C25H22N4O2/c30-25(29-26-18-20-9-5-2-6-10-20)24-17-23(27-28-24)21-11-13-22(14-12-21)31-16-15-19-7-3-1-4-8-19/h1-14,17-18H,15-16H2,(H,27,28)(H,29,30)
InChIK	XBGQOFWRZCKBLT-UHFFFAOYSA-N
TotalMolweight	410.476
Molweight	410.476
MonoisotopicMass	410.174276
CLogP	4.6776
CLogS	-5.549
H Acceptors	6
H Donors	2
TotalSurfaceArea	332.36
Relative PSA	0.21353
PolarSurfaceArea	79.37
Druglikeness	5.0385
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.70968
Fragments	1
Non HAtoms	31
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	6
Aromatic Nitrogens	2
StereoCon

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