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Home > Indoles and Oxindole > 827318-54-7
827318-54-7 | 1H-Pyrazole-4-carboxamide, 3-(1H-indol-2-yl)-N-(2-methylpropyl)-
CAS No: 827318-54-7 Catalog No: AG004ZWL MDL No:
Product Description
Catalog Number:
AG004ZWL
Chemical Name:
1H-Pyrazole-4-carboxamide, 3-(1H-indol-2-yl)-N-(2-methylpropyl)-
CAS Number:
827318-54-7
Molecular Formula:
C16H18N4O
Molecular Weight:
282.3403
IUPAC Name:
5-(1H-indol-2-yl)-N-(2-methylpropyl)-1H-pyrazole-4-carboxamide
InChI:
InChI=1S/C16H18N4O/c1-10(2)8-17-16(21)12-9-18-20-15(12)14-7-11-5-3-4-6-13(11)19-14/h3-7,9-10,19H,8H2,1-2H3,(H,17,21)(H,18,20)
InChI Key:
BZSQVVOYWXYVCO-UHFFFAOYSA-N
SMILES:
CC(CNC(=O)c1c[nH]nc1c1cc2c([nH]1)cccc2)C
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.148g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
282.347g/mol
Monoisotopic Mass:
282.148g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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