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824968-97-0 | 2-Quinoxalinecarboxamide, N-(3-methyl-5-phenyl-1H-pyrazol-4-yl)-
CAS No: 824968-97-0 Catalog No: AG004ZFO MDL No:
Product Description
Catalog Number:
AG004ZFO
Chemical Name:
2-Quinoxalinecarboxamide, N-(3-methyl-5-phenyl-1H-pyrazol-4-yl)-
CAS Number:
824968-97-0
Molecular Formula:
C19H15N5O
Molecular Weight:
329.3553
IUPAC Name:
N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)quinoxaline-2-carboxamide
InChI:
InChI=1S/C19H15N5O/c1-12-17(18(24-23-12)13-7-3-2-4-8-13)22-19(25)16-11-20-14-9-5-6-10-15(14)21-16/h2-11H,1H3,(H,22,25)(H,23,24)
InChI Key:
CEKKQFZISCAJAC-UHFFFAOYSA-N
SMILES:
O=C(c1cnc2c(n1)cccc2)Nc1c(C)n[nH]c1c1ccccc1
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.128g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
329.363g/mol
Monoisotopic Mass:
329.128g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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