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Home > Indoles and Oxindole > 827317-53-3
827317-53-3 | 1H-Indole-6-carboxamide, N-methyl-2-(1H-pyrazol-3-yl)-
CAS No: 827317-53-3 Catalog No: AG004V4Q MDL No:
Product Description
Catalog Number:
AG004V4Q
Chemical Name:
1H-Indole-6-carboxamide, N-methyl-2-(1H-pyrazol-3-yl)-
CAS Number:
827317-53-3
Molecular Formula:
C13H12N4O
Molecular Weight:
240.2606
IUPAC Name:
N-methyl-2-(1H-pyrazol-5-yl)-1H-indole-6-carboxamide
InChI:
InChI=1S/C13H12N4O/c1-14-13(18)9-3-2-8-6-12(16-11(8)7-9)10-4-5-15-17-10/h2-7,16H,1H3,(H,14,18)(H,15,17)
InChI Key:
HKJPBOZPQXIIRI-UHFFFAOYSA-N
SMILES:
CNC(=O)c1ccc2c(c1)[nH]c(c2)c1n[nH]cc1
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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