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Home > Indoles and Oxindole > 827316-82-5
827316-82-5 | 1H-Indole-5-carboxamide, N-(4-hydroxybutyl)-2-(1H-pyrazol-3-yl)-
CAS No: 827316-82-5 Catalog No: AG004V53 MDL No:
Product Description
Catalog Number:
AG004V53
Chemical Name:
1H-Indole-5-carboxamide, N-(4-hydroxybutyl)-2-(1H-pyrazol-3-yl)-
CAS Number:
827316-82-5
Molecular Formula:
C16H18N4O2
Molecular Weight:
298.3397
IUPAC Name:
N-(4-hydroxybutyl)-2-(1H-pyrazol-5-yl)-1H-indole-5-carboxamide
InChI:
InChI=1S/C16H18N4O2/c21-8-2-1-6-17-16(22)11-3-4-13-12(9-11)10-15(19-13)14-5-7-18-20-14/h3-5,7,9-10,19,21H,1-2,6,8H2,(H,17,22)(H,18,20)
InChI Key:
YVYGQHVQQUTKTB-UHFFFAOYSA-N
SMILES:
OCCCCNC(=O)c1ccc2c(c1)cc([nH]2)c1n[nH]cc1
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.143g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
298.346g/mol
Monoisotopic Mass:
298.143g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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