N-[(Z)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide

Formula:C16H15N4OBr Mutagenic:high Tumorigenic:low Reproductive Effective:none N-[(Z)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide is a drug-like molecule.

MolName	N-[(Z)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
MolecularFormula	C16H15N4OBr
Smiles	O=C(c1n[nH]c2c1CCC2)N/N=C\C(\Br)=C/c1ccccc1
InChI	InChI=1S/C16H15BrN4O/c17-12(9-11-5-2-1-3-6-11)10-18-21-16(22)15-13-7-4-8-14(13)19-20-15/h1-3,5-6,9-10H,4,7-8H2,(H,19,20)(H,21,22)
InChIK	YOXLOCCSYKQCIW-UHFFFAOYSA-N
TotalMolweight	359.226
Molweight	359.226
MonoisotopicMass	358.042922
CLogP	2.6289
CLogS	-4.289
H Acceptors	5
H Donors	2
TotalSurfaceArea	246.44
Relative PSA	0.2474
PolarSurfaceArea	70.14
Druglikeness	-1.7617
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

Click to Load Molecule:

1 - N-[(Z)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide | 2 - N-[(Z)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide

Request More Details | N-[(Z)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments