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Home > Indoles and Oxindole > 827318-51-4
827318-51-4 | 1H-Pyrazole-4-carboxamide, 3-(1H-indol-2-yl)-N-(1-methylethyl)-
CAS No: 827318-51-4 Catalog No: AG0058J4 MDL No:
Product Description
Catalog Number:
AG0058J4
Chemical Name:
1H-Pyrazole-4-carboxamide, 3-(1H-indol-2-yl)-N-(1-methylethyl)-
CAS Number:
827318-51-4
Molecular Formula:
C15H16N4O
Molecular Weight:
268.3137
IUPAC Name:
5-(1H-indol-2-yl)-N-propan-2-yl-1H-pyrazole-4-carboxamide
InChI:
InChI=1S/C15H16N4O/c1-9(2)17-15(20)11-8-16-19-14(11)13-7-10-5-3-4-6-12(10)18-13/h3-9,18H,1-2H3,(H,16,19)(H,17,20)
InChI Key:
CDHCLSCFCOKEKB-UHFFFAOYSA-N
SMILES:
CC(NC(=O)c1c[nH]nc1c1cc2c([nH]1)cccc2)C
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.132g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
268.32g/mol
Monoisotopic Mass:
268.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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