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Home > Indoles and Oxindole > 827318-48-9
827318-48-9 | 1H-Pyrazole-4-carboxamide, 3-(1H-indol-2-yl)-N-methyl-
CAS No: 827318-48-9 Catalog No: AG004V2V MDL No:
Product Description
Catalog Number:
AG004V2V
Chemical Name:
1H-Pyrazole-4-carboxamide, 3-(1H-indol-2-yl)-N-methyl-
CAS Number:
827318-48-9
Molecular Formula:
C13H12N4O
Molecular Weight:
240.2606
IUPAC Name:
5-(1H-indol-2-yl)-N-methyl-1H-pyrazole-4-carboxamide
InChI:
InChI=1S/C13H12N4O/c1-14-13(18)9-7-15-17-12(9)11-6-8-4-2-3-5-10(8)16-11/h2-7,16H,1H3,(H,14,18)(H,15,17)
InChI Key:
IIXKKSRRYJWZMK-UHFFFAOYSA-N
SMILES:
CNC(=O)c1c[nH]nc1c1cc2c([nH]1)cccc2
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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