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Home > Indoles and Oxindole > 827318-49-0
827318-49-0 | 1H-Pyrazole-4-carboxamide, N-ethyl-3-(1H-indol-2-yl)-
CAS No: 827318-49-0 Catalog No: AG004V2U MDL No:
Product Description
Catalog Number:
AG004V2U
Chemical Name:
1H-Pyrazole-4-carboxamide, N-ethyl-3-(1H-indol-2-yl)-
CAS Number:
827318-49-0
Molecular Formula:
C14H14N4O
Molecular Weight:
254.2872
IUPAC Name:
N-ethyl-5-(1H-indol-2-yl)-1H-pyrazole-4-carboxamide
InChI:
InChI=1S/C14H14N4O/c1-2-15-14(19)10-8-16-18-13(10)12-7-9-5-3-4-6-11(9)17-12/h3-8,17H,2H2,1H3,(H,15,19)(H,16,18)
InChI Key:
SRHGGYNXMJIEPG-UHFFFAOYSA-N
SMILES:
CCNC(=O)c1c[nH]nc1c1cc2c([nH]1)cccc2
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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