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Home > Indoles and Oxindole > 827317-52-2
827317-52-2 | 1H-Indole-5-carboxamide, N-methyl-2-(1H-pyrazol-3-yl)-
CAS No: 827317-52-2 Catalog No: AG004ZZT MDL No:
Product Description
Catalog Number:
AG004ZZT
Chemical Name:
1H-Indole-5-carboxamide, N-methyl-2-(1H-pyrazol-3-yl)-
CAS Number:
827317-52-2
Molecular Formula:
C13H12N4O
Molecular Weight:
240.2606
IUPAC Name:
N-methyl-2-(1H-pyrazol-5-yl)-1H-indole-5-carboxamide
InChI:
InChI=1S/C13H12N4O/c1-14-13(18)8-2-3-10-9(6-8)7-12(16-10)11-4-5-15-17-11/h2-7,16H,1H3,(H,14,18)(H,15,17)
InChI Key:
WVZRVQJIOCBBBF-UHFFFAOYSA-N
SMILES:
CNC(=O)c1ccc2c(c1)cc([nH]2)c1cc[nH]n1
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.101g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
240.266g/mol
Monoisotopic Mass:
240.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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