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Home > Indoles and Oxindole > 827317-54-4
827317-54-4 | 1H-Indole-4-carboxamide, N-ethyl-2-(1H-pyrazol-3-yl)-
CAS No: 827317-54-4 Catalog No: AG004V4P MDL No:
Product Description
Catalog Number:
AG004V4P
Chemical Name:
1H-Indole-4-carboxamide, N-ethyl-2-(1H-pyrazol-3-yl)-
CAS Number:
827317-54-4
Molecular Formula:
C14H14N4O
Molecular Weight:
254.2872
IUPAC Name:
N-ethyl-2-(1H-pyrazol-5-yl)-1H-indole-4-carboxamide
InChI:
InChI=1S/C14H14N4O/c1-2-15-14(19)9-4-3-5-11-10(9)8-13(17-11)12-6-7-16-18-12/h3-8,17H,2H2,1H3,(H,15,19)(H,16,18)
InChI Key:
CNRUXMNSOKUFPQ-UHFFFAOYSA-N
SMILES:
CCNC(=O)c1cccc2c1cc([nH]2)c1n[nH]cc1
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.117g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
254.293g/mol
Monoisotopic Mass:
254.117g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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