4-bromo-N-[(Z)-(2-iodophenyl)methylideneamino]-1H-pyrazole-5-carboxamide

Formula:C11H8N4OBrI Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-bromo-N-[(Z)-(2-iodophenyl)methylideneamino]-1H-pyrazole-5-carboxamide is a drug-like molecule.

MolName	4-bromo-N-[(Z)-(2-iodophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
MolecularFormula	C11H8N4OBrI
Smiles	O=C(c([nH]nc1)c1Br)N/N=C\c(cccc1)c1I
InChI	InChI=1S/C11H8BrIN4O/c12-8-6-15-16-10(8)11(18)17-14-5-7-3-1-2-4-9(7)13/h1-6H,(H,15,16)(H,17,18)
InChIK	MYJZMXURCZZSOB-UHFFFAOYSA-N
TotalMolweight	419.016
Molweight	419.016
MonoisotopicMass	417.89262
CLogP	2.3115
CLogS	-4.168
H Acceptors	5
H Donors	2
TotalSurfaceArea	220.23
Relative PSA	0.27685
PolarSurfaceArea	70.14
Druglikeness	0.38799
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde; 3-halo-enone
Shape Index	0.61111
Fragments	1
Non HAtoms	18
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Aromatic Nitrogens	2
StereoCon

Click to Load Molecule:

1 - 4-bromo-N-[(Z)-(2-iodophenyl)methylideneamino]-1H-pyrazole-5-carboxamide | 2 - 4-bromo-N-[(Z)-(2-iodophenyl)methylideneamino]-1H-pyrazole-5-carboxamide

Request More Details | 4-bromo-N-[(Z)-(2-iodophenyl)methylideneamino]-1H-pyrazole-5-carboxamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments