5-(1-adamantyl)-N-[(Z)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide

Formula:C21H23N5O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-(1-adamantyl)-N-[(Z)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide is a drug-like molecule.

MolName	5-(1-adamantyl)-N-[(Z)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide
MolecularFormula	C21H23N5O3
Smiles	[O-][N+](c1ccc(/C=N\NC(c2n[nH]c(C3(CC(C4)C5)CC5CC4C3)c2)=O)cc1)=O
InChI	InChI=1S/C21H23N5O3/c27-20(25-22-12-13-1-3-17(4-2-13)26(28)29)18-8-19(24-23-18)21-9-14-5-15(10-21)7-16(6-14)11-21/h1-4,8,12,14-16H,5-7,9-11H2,(H,23,24)(H,25,27)
InChIK	XQQFAUKDAUURFS-UHFFFAOYSA-N
TotalMolweight	393.446
Molweight	393.446
MonoisotopicMass	393.18009
CLogP	2.4119
CLogS	-5.51
H Acceptors	8
H Donors	2
TotalSurfaceArea	288.96
Relative PSA	0.31627
PolarSurfaceArea	115.96
Druglikeness	1.0621
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	5
Small Rings	6
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	11
Symmetricatoms	8
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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