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827317-15-7 | 1H-Indole-5-carboxamide, N-[2-(phenylamino)ethyl]-2-(1H-pyrazol-3-yl)-
CAS No: 827317-15-7 Catalog No: AG00501G MDL No:
Product Description
Catalog Number:
AG00501G
Chemical Name:
1H-Indole-5-carboxamide, N-[2-(phenylamino)ethyl]-2-(1H-pyrazol-3-yl)-
CAS Number:
827317-15-7
Molecular Formula:
C20H19N5O
Molecular Weight:
345.3978
IUPAC Name:
N-(2-anilinoethyl)-2-(1H-pyrazol-5-yl)-1H-indole-5-carboxamide
InChI:
InChI=1S/C20H19N5O/c26-20(22-11-10-21-16-4-2-1-3-5-16)14-6-7-17-15(12-14)13-19(24-17)18-8-9-23-25-18/h1-9,12-13,21,24H,10-11H2,(H,22,26)(H,23,25)
InChI Key:
QYHIFTRYUIFBRK-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c(c1)cc([nH]2)c1n[nH]cc1)NCCNc1ccccc1
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.159g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
345.406g/mol
Monoisotopic Mass:
345.159g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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