5-amino-3-[(Z)-2-[5-(4-bromophenyl)furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile

Formula:C23H14N5OBr Mutagenic:high Tumorigenic:high Reproductive Effective:none 5-amino-3-[(Z)-2-[5-(4-bromophenyl)furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile is a drug-like molecule.

MolName	5-amino-3-[(Z)-2-[5-(4-bromophenyl)furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile
MolecularFormula	C23H14N5OBr
Smiles	Nc(n(-c1ccccc1)nc1/C(/C#N)=C/c2ccc(-c(cc3)ccc3Br)o2)c1C#N
InChI	InChI=1S/C23H14BrN5O/c24-17-8-6-15(7-9-17)21-11-10-19(30-21)12-16(13-25)22-20(14-26)23(27)29(28-22)18-4-2-1-3-5-18/h1-12H,27H2
InChIK	OYYWPZPMYMUJPU-UHFFFAOYSA-N
TotalMolweight	456.302
Molweight	456.302
MonoisotopicMass	455.038171
CLogP	3.7292
CLogS	-7.056
H Acceptors	6
H Donors	1
TotalSurfaceArea	325.47
Relative PSA	0.22841
PolarSurfaceArea	104.56
Druglikeness	-2.2394
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	1
Symmetricatoms	4
Aromatic Nitrogens	2
StereoCon

Click to Load Molecule:

1 - 5-amino-3-[(Z)-2-[5-(4-bromophenyl)furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile | 2 - 5-amino-3-[(Z)-2-[5-(4-bromophenyl)furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile

Request More Details | 5-amino-3-[(Z)-2-[5-(4-bromophenyl)furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments