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

Formula:C16H17N4OBr Mutagenic:high Tumorigenic:low Reproductive Effective:none N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-5-propan-2-yl-1H-pyrazole-3-carboxamide is a drug-like molecule.

MolName	N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
MolecularFormula	C16H17N4OBr
Smiles	CC(C)c1cc(C(N/N=C\C(\Br)=C\c2ccccc2)=O)n[nH]1
InChI	InChI=1S/C16H17BrN4O/c1-11(2)14-9-15(20-19-14)16(22)21-18-10-13(17)8-12-6-4-3-5-7-12/h3-11H,1-2H3,(H,19,20)(H,21,22)
InChIK	WFMRMDAGDXDXPT-UHFFFAOYSA-N
TotalMolweight	361.242
Molweight	361.242
MonoisotopicMass	360.058572
CLogP	3.0011
CLogS	-4.338
H Acceptors	5
H Donors	2
TotalSurfaceArea	255.68
Relative PSA	0.23846
PolarSurfaceArea	70.14
Druglikeness	0.50719
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.68182
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Symmetricatoms	3
Aromatic Nitrogens	2
StereoCon

Click to Load Molecule:

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

Request More Details | N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-5-propan-2-yl-1H-pyrazole-3-carboxamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments