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Home > Indoles and Oxindole > 827317-01-1
827317-01-1 | 1H-Indole-4-carboxamide, N-(phenylmethyl)-2-(1H-pyrazol-3-yl)-
CAS No: 827317-01-1 Catalog No: AG0058QQ MDL No:
Product Description
Catalog Number:
AG0058QQ
Chemical Name:
1H-Indole-4-carboxamide, N-(phenylmethyl)-2-(1H-pyrazol-3-yl)-
CAS Number:
827317-01-1
Molecular Formula:
C19H16N4O
Molecular Weight:
316.3565
IUPAC Name:
N-benzyl-2-(1H-pyrazol-5-yl)-1H-indole-4-carboxamide
InChI:
InChI=1S/C19H16N4O/c24-19(20-12-13-5-2-1-3-6-13)14-7-4-8-16-15(14)11-18(22-16)17-9-10-21-23-17/h1-11,22H,12H2,(H,20,24)(H,21,23)
InChI Key:
HAVKPWPRRQLVJR-UHFFFAOYSA-N
SMILES:
O=C(c1cccc2c1cc([nH]2)c1n[nH]cc1)NCc1ccccc1
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.132g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
316.364g/mol
Monoisotopic Mass:
316.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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