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

Formula:C27H24N4O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[4-(2-phenylethoxy)phenyl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide is a drug-like molecule.

MolName	3-[4-(2-phenylethoxy)phenyl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
MolecularFormula	C27H24N4O2
Smiles	O=C(c1cc(-c(cc2)ccc2OCCc2ccccc2)n[nH]1)N/N=C\C=C\c1ccccc1
InChI	InChI=1S/C27H24N4O2/c32-27(31-28-18-7-12-21-8-3-1-4-9-21)26-20-25(29-30-26)23-13-15-24(16-14-23)33-19-17-22-10-5-2-6-11-22/h1-16,18,20H,17,19H2,(H,29,30)(H,31,32)
InChIK	RMDFUIFFTDAOIL-UHFFFAOYSA-N
TotalMolweight	436.514
Molweight	436.514
MonoisotopicMass	436.189926
CLogP	4.6959
CLogS	-5.841
H Acceptors	6
H Donors	2
TotalSurfaceArea	358.86
Relative PSA	0.19777
PolarSurfaceArea	79.37
Druglikeness	5.0632
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.72727
Fragments	1
Non HAtoms	33
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	6
Aromatic Nitrogens	2
StereoCon

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