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Home > Indoles and Oxindole > 827318-21-8
827318-21-8 | Acetamide, N-[2-(1H-pyrazol-3-yl)-1H-indol-5-yl]-
CAS No: 827318-21-8 Catalog No: AG004ZWS MDL No:
Product Description
Catalog Number:
AG004ZWS
Chemical Name:
Acetamide, N-[2-(1H-pyrazol-3-yl)-1H-indol-5-yl]-
CAS Number:
827318-21-8
Molecular Formula:
C13H12N4O
Molecular Weight:
240.2606
IUPAC Name:
N-[2-(1H-pyrazol-5-yl)-1H-indol-5-yl]acetamide
InChI:
InChI=1S/C13H12N4O/c1-8(18)15-10-2-3-11-9(6-10)7-13(16-11)12-4-5-14-17-12/h2-7,16H,1H3,(H,14,17)(H,15,18)
InChI Key:
KCGAQTFIYPTDTA-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc2c(c1)cc([nH]2)c1cc[nH]n1
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.101g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
240.266g/mol
Monoisotopic Mass:
240.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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