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116341-61-8 | 1H-Pyrazole-3-carboxamide, 5-(4-methoxyphenyl)-N-phenyl-
CAS No: 116341-61-8 Catalog No: AG000C8R MDL No:
Product Description
Catalog Number:
AG000C8R
Chemical Name:
1H-Pyrazole-3-carboxamide, 5-(4-methoxyphenyl)-N-phenyl-
CAS Number:
116341-61-8
Molecular Formula:
C17H15N3O2
Molecular Weight:
293.3199
IUPAC Name:
3-(4-methoxyphenyl)-N-phenyl-1H-pyrazole-5-carboxamide
InChI:
InChI=1S/C17H15N3O2/c1-22-14-9-7-12(8-10-14)15-11-16(20-19-15)17(21)18-13-5-3-2-4-6-13/h2-11H,1H3,(H,18,21)(H,19,20)
InChI Key:
KAXPVZGVFVSGLV-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1[nH]nc(c1)C(=O)Nc1ccccc1
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.116g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
293.326g/mol
Monoisotopic Mass:
293.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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