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Home > Indoles and Oxindole > 827317-03-3
827317-03-3 | 1H-Indole-6-carboxamide, N-(phenylmethyl)-2-(1H-pyrazol-3-yl)-
CAS No: 827317-03-3 Catalog No: AG004V4Y MDL No:
Product Description
Catalog Number:
AG004V4Y
Chemical Name:
1H-Indole-6-carboxamide, N-(phenylmethyl)-2-(1H-pyrazol-3-yl)-
CAS Number:
827317-03-3
Molecular Formula:
C19H16N4O
Molecular Weight:
316.3565
IUPAC Name:
N-benzyl-2-(1H-pyrazol-5-yl)-1H-indole-6-carboxamide
InChI:
InChI=1S/C19H16N4O/c24-19(20-12-13-4-2-1-3-5-13)15-7-6-14-10-18(22-17(14)11-15)16-8-9-21-23-16/h1-11,22H,12H2,(H,20,24)(H,21,23)
InChI Key:
PRULNCDLTPASBG-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c(c1)[nH]c(c2)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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