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Home > Indoles and Oxindole > 827318-52-5
827318-52-5 | 1H-Pyrazole-4-carboxamide, N-butyl-3-(1H-indol-2-yl)-
CAS No: 827318-52-5 Catalog No: AG004UXK MDL No:
Product Description
Catalog Number:
AG004UXK
Chemical Name:
1H-Pyrazole-4-carboxamide, N-butyl-3-(1H-indol-2-yl)-
CAS Number:
827318-52-5
Molecular Formula:
C16H18N4O
Molecular Weight:
282.3403
IUPAC Name:
N-butyl-5-(1H-indol-2-yl)-1H-pyrazole-4-carboxamide
InChI:
InChI=1S/C16H18N4O/c1-2-3-8-17-16(21)12-10-18-20-15(12)14-9-11-6-4-5-7-13(11)19-14/h4-7,9-10,19H,2-3,8H2,1H3,(H,17,21)(H,18,20)
InChI Key:
BDJUCAMTMOKARW-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)c1c[nH]nc1c1cc2c([nH]1)cccc2
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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