5-(1-adamantyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide

Formula:C19H22N4OS Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-(1-adamantyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide is a drug-like molecule.

MolName	5-(1-adamantyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide
MolecularFormula	C19H22N4OS
Smiles	O=C(c1n[nH]c(C2(CC(C3)C4)CC4CC3C2)c1)N/N=C\c1cccs1
InChI	InChI=1S/C19H22N4OS/c24-18(23-20-11-15-2-1-3-25-15)16-7-17(22-21-16)19-8-12-4-13(9-19)6-14(5-12)10-19/h1-3,7,11-14H,4-6,8-10H2,(H,21,22)(H,23,24)
InChIK	PNNBHVXABVPFIA-UHFFFAOYSA-N
TotalMolweight	354.477
Molweight	354.477
MonoisotopicMass	354.151431
CLogP	3.2001
CLogS	-5.06
H Acceptors	5
H Donors	2
TotalSurfaceArea	261.23
Relative PSA	0.31133
PolarSurfaceArea	98.38
Druglikeness	7.3641
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	5
Small Rings	6
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	10
Symmetricatoms	6
Aromatic Nitrogens	2
StereoCon

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