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827316-53-0 | 1H-Pyrazole-4-carboxamide, 3-(1H-indol-2-yl)-N-(phenylmethyl)-
CAS No: 827316-53-0 Catalog No: AG0058QZ MDL No:
Product Description
Catalog Number:
AG0058QZ
Chemical Name:
1H-Pyrazole-4-carboxamide, 3-(1H-indol-2-yl)-N-(phenylmethyl)-
CAS Number:
827316-53-0
Molecular Formula:
C19H16N4O
Molecular Weight:
316.3565
IUPAC Name:
N-benzyl-5-(1H-indol-2-yl)-1H-pyrazole-4-carboxamide
InChI:
InChI=1S/C19H16N4O/c24-19(20-11-13-6-2-1-3-7-13)15-12-21-23-18(15)17-10-14-8-4-5-9-16(14)22-17/h1-10,12,22H,11H2,(H,20,24)(H,21,23)
InChI Key:
ZXHCEEQZAPZPIK-UHFFFAOYSA-N
SMILES:
O=C(c1c[nH]nc1c1cc2c([nH]1)cccc2)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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