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Home > Indoles and Oxindole > 827317-63-5
827317-63-5 | 1H-Indole-5-carboxamide, N-butyl-2-(1H-pyrazol-3-yl)-
CAS No: 827317-63-5 Catalog No: AG004ZZQ MDL No:
Product Description
Catalog Number:
AG004ZZQ
Chemical Name:
1H-Indole-5-carboxamide, N-butyl-2-(1H-pyrazol-3-yl)-
CAS Number:
827317-63-5
Molecular Formula:
C16H18N4O
Molecular Weight:
282.3403
IUPAC Name:
N-butyl-2-(1H-pyrazol-5-yl)-1H-indole-5-carboxamide
InChI:
InChI=1S/C16H18N4O/c1-2-3-7-17-16(21)11-4-5-13-12(9-11)10-15(19-13)14-6-8-18-20-14/h4-6,8-10,19H,2-3,7H2,1H3,(H,17,21)(H,18,20)
InChI Key:
XXPOCMBZMACLOC-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)c1ccc2c(c1)cc([nH]2)c1n[nH]cc1
Properties
Complexity:
362
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:
5
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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