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Home > Indoles and Oxindole > 827317-70-4
827317-70-4 | 1H-Indole-6-carboxamide, N-phenyl-2-(1H-pyrazol-3-yl)-
CAS No: 827317-70-4 Catalog No: AG0058QB MDL No:
Product Description
Catalog Number:
AG0058QB
Chemical Name:
1H-Indole-6-carboxamide, N-phenyl-2-(1H-pyrazol-3-yl)-
CAS Number:
827317-70-4
Molecular Formula:
C18H14N4O
Molecular Weight:
302.3300
IUPAC Name:
N-phenyl-2-(1H-pyrazol-5-yl)-1H-indole-6-carboxamide
InChI:
InChI=1S/C18H14N4O/c23-18(20-14-4-2-1-3-5-14)13-7-6-12-10-17(21-16(12)11-13)15-8-9-19-22-15/h1-11,21H,(H,19,22)(H,20,23)
InChI Key:
MYAYGNDIKADPQJ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c(c1)[nH]c(c2)c1n[nH]cc1)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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