Name: Name:(2E)-2-Cyano-3-[3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]-N-(3-pyridinylmethyl)-2-propenamide
Brand: Angene
SKU: AG01F06J
Rating: 90 (10 reviews)

(2E)-2-Cyano-3-[3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]-N-(3-pyridinylmethyl)-2-propenamide

CAS No.:

956691-10-4

Catalog Number:

AG01F06J

Molecular Formula:

C25H18N6O3

Molecular Weight:

450.4488

Catalog Number:

AG01F06J

Chemical Name:

(2E)-2-Cyano-3-[3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]-N-(3-pyridinylmethyl)-2-propenamide

CAS Number:

956691-10-4

Molecular Formula:

C25H18N6O3

Molecular Weight:

450.4488

MDL Number:

MFCD03461579

IUPAC Name:

(E)-2-cyano-3-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-N-(pyridin-3-ylmethyl)prop-2-enamide

InChI:

InChI=1S/C25H18N6O3/c26-14-20(25(32)28-16-18-5-4-12-27-15-18)13-21-17-30(22-6-2-1-3-7-22)29-24(21)19-8-10-23(11-9-19)31(33)34/h1-13,15,17H,16H2,(H,28,32)/b20-13+

InChI Key:

JWHOZQMOCMTIRJ-DEDYPNTBSA-N

SMILES:

N#C/C(=C\c1cn(nc1c1ccc(cc1)[N+](=O)[O-])c1ccccc1)/C(=O)NCc1cccnc1

Complexity:

788

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

450.144g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

450.458g/mol

Monoisotopic Mass:

450.144g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

129A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4