5-(1-adamantyl)-N-[(Z)-pyridin-4-ylmethylideneamino]-1H-pyrazole-3-carboxamide

Formula:C20H23N5O Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-(1-adamantyl)-N-[(Z)-pyridin-4-ylmethylideneamino]-1H-pyrazole-3-carboxamide is a drug-like molecule.

MolName	5-(1-adamantyl)-N-[(Z)-pyridin-4-ylmethylideneamino]-1H-pyrazole-3-carboxamide
MolecularFormula	C20H23N5O
Smiles	O=C(c1n[nH]c(C2(CC(C3)C4)CC4CC3C2)c1)N/N=C\c1ccncc1
InChI	InChI=1S/C20H23N5O/c26-19(25-22-12-13-1-3-21-4-2-13)17-8-18(24-23-17)20-9-14-5-15(10-20)7-16(6-14)11-20/h1-4,8,12,14-16H,5-7,9-11H2,(H,23,24)(H,25,26)
InChIK	NHKRYOQYFQYLBG-UHFFFAOYSA-N
TotalMolweight	349.437
Molweight	349.437
MonoisotopicMass	349.19026
CLogP	2.3326
CLogS	-4.255
H Acceptors	6
H Donors	2
TotalSurfaceArea	264.05
Relative PSA	0.27245
PolarSurfaceArea	83.03
Druglikeness	6.1512
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	5
Small Rings	6
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	10
Symmetricatoms	8
Aromatic Nitrogens	3
StereoCon

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