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824969-11-1 | Benzamide, 3-methyl-N-(3-methyl-5-phenyl-1H-pyrazol-4-yl)-
CAS No: 824969-11-1 Catalog No: AG004ZFL MDL No:
Product Description
Catalog Number:
AG004ZFL
Chemical Name:
Benzamide, 3-methyl-N-(3-methyl-5-phenyl-1H-pyrazol-4-yl)-
CAS Number:
824969-11-1
Molecular Formula:
C18H17N3O
Molecular Weight:
291.3471
IUPAC Name:
3-methyl-N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzamide
InChI:
InChI=1S/C18H17N3O/c1-12-7-6-10-15(11-12)18(22)19-16-13(2)20-21-17(16)14-8-4-3-5-9-14/h3-11H,1-2H3,(H,19,22)(H,20,21)
InChI Key:
CMOASTZTWRFBGM-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)C(=O)Nc1c(C)n[nH]c1c1ccccc1
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.137g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
291.354g/mol
Monoisotopic Mass:
291.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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