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

Formula:C23H25N4OBr Mutagenic:high Tumorigenic:low Reproductive Effective:none 5-(1-adamantyl)-N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide is a drug-like molecule.

MolName	5-(1-adamantyl)-N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide
MolecularFormula	C23H25N4OBr
Smiles	O=C(c1n[nH]c(C2(CC(C3)C4)CC4CC3C2)c1)N/N=C\C(\Br)=C\c1ccccc1
InChI	InChI=1S/C23H25BrN4O/c24-19(9-15-4-2-1-3-5-15)14-25-28-22(29)20-10-21(27-26-20)23-11-16-6-17(12-23)8-18(7-16)13-23/h1-5,9-10,14,16-18H,6-8,11-13H2,(H,26,27)(H,28,29)
InChIK	BNLQYTNRJQORSM-UHFFFAOYSA-N
TotalMolweight	453.383
Molweight	453.383
MonoisotopicMass	452.121172
CLogP	3.9444
CLogS	-6.175
H Acceptors	5
H Donors	2
TotalSurfaceArea	308.63
Relative PSA	0.19755
PolarSurfaceArea	70.14
Druglikeness	0.78124
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
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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