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

Formula:C23H26N4O Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-(1-adamantyl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide is a drug-like molecule.

MolName	5-(1-adamantyl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide
MolecularFormula	C23H26N4O
Smiles	O=C(c1n[nH]c(C2(CC(C3)C4)CC4CC3C2)c1)N/N=C\C=C\c1ccccc1
InChI	InChI=1S/C23H26N4O/c28-22(27-24-8-4-7-16-5-2-1-3-6-16)20-12-21(26-25-20)23-13-17-9-18(14-23)11-19(10-17)15-23/h1-8,12,17-19H,9-11,13-15H2,(H,25,26)(H,27,28)
InChIK	CQKVIVCEZLEEOR-UHFFFAOYSA-N
TotalMolweight	374.486
Molweight	374.486
MonoisotopicMass	374.210661
CLogP	3.3518
CLogS	-5.342
H Acceptors	5
H Donors	2
TotalSurfaceArea	291.79
Relative PSA	0.20895
PolarSurfaceArea	70.14
Druglikeness	6.1533
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	5
Small Rings	6
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	10
Symmetricatoms	8
Aromatic Nitrogens	2
StereoCon

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