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Home > Indoles and Oxindole > 827316-52-9
827316-52-9 | 1H-Pyrazole-4-carboxamide, 3-(1H-indol-2-yl)-
CAS No: 827316-52-9 Catalog No: AG00501U MDL No:
Product Description
Catalog Number:
AG00501U
Chemical Name:
1H-Pyrazole-4-carboxamide, 3-(1H-indol-2-yl)-
CAS Number:
827316-52-9
Molecular Formula:
C12H10N4O
Molecular Weight:
226.2340
IUPAC Name:
5-(1H-indol-2-yl)-1H-pyrazole-4-carboxamide
InChI:
InChI=1S/C12H10N4O/c13-12(17)8-6-14-16-11(8)10-5-7-3-1-2-4-9(7)15-10/h1-6,15H,(H2,13,17)(H,14,16)
InChI Key:
LBUXSZKEGSJIDY-UHFFFAOYSA-N
SMILES:
NC(=O)c1c[nH]nc1c1cc2c([nH]1)cccc2
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
226.239g/mol
Monoisotopic Mass:
226.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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