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Home > Indoles and Oxindole > 827318-55-8
827318-55-8 | 1H-Pyrazole-4-carboxamide, 3-(1H-indol-2-yl)-N-phenyl-
CAS No: 827318-55-8 Catalog No: AG004UXJ MDL No:
Product Description
Catalog Number:
AG004UXJ
Chemical Name:
1H-Pyrazole-4-carboxamide, 3-(1H-indol-2-yl)-N-phenyl-
CAS Number:
827318-55-8
Molecular Formula:
C18H14N4O
Molecular Weight:
302.3300
IUPAC Name:
5-(1H-indol-2-yl)-N-phenyl-1H-pyrazole-4-carboxamide
InChI:
InChI=1S/C18H14N4O/c23-18(20-13-7-2-1-3-8-13)14-11-19-22-17(14)16-10-12-6-4-5-9-15(12)21-16/h1-11,21H,(H,19,22)(H,20,23)
InChI Key:
DEGMXEVTINYRBM-UHFFFAOYSA-N
SMILES:
O=C(c1c[nH]nc1c1cc2c([nH]1)cccc2)Nc1ccccc1
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.117g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
302.337g/mol
Monoisotopic Mass:
302.117g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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