3-(4-phenylmethoxyphenyl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide

Formula:C26H22N4O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(4-phenylmethoxyphenyl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide is a drug-like molecule.

MolName	3-(4-phenylmethoxyphenyl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
MolecularFormula	C26H22N4O2
Smiles	O=C(c1cc(-c(cc2)ccc2OCc2ccccc2)n[nH]1)N/N=C\C=C\c1ccccc1
InChI	InChI=1S/C26H22N4O2/c31-26(30-27-17-7-12-20-8-3-1-4-9-20)25-18-24(28-29-25)22-13-15-23(16-14-22)32-19-21-10-5-2-6-11-21/h1-18H,19H2,(H,28,29)(H,30,31)
InChIK	PLEPNAMLRSFPIC-UHFFFAOYSA-N
TotalMolweight	422.487
Molweight	422.487
MonoisotopicMass	422.174276
CLogP	4.2658
CLogS	-5.729
H Acceptors	6
H Donors	2
TotalSurfaceArea	345.1
Relative PSA	0.20565
PolarSurfaceArea	79.37
Druglikeness	5.34
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.71875
Fragments	1
Non HAtoms	32
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	6
Aromatic Nitrogens	2
StereoCon

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