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125103-48-2 | 1H-Pyrazole-4-carboxamide, 5-methyl-N-(3-methylbutyl)-1,3-diphenyl-
CAS No: 125103-48-2 Catalog No: AG000N7I MDL No:
Product Description
Catalog Number:
AG000N7I
Chemical Name:
1H-Pyrazole-4-carboxamide, 5-methyl-N-(3-methylbutyl)-1,3-diphenyl-
CAS Number:
125103-48-2
Molecular Formula:
C22H25N3O
Molecular Weight:
347.4534
IUPAC Name:
5-methyl-N-(3-methylbutyl)-1,3-diphenylpyrazole-4-carboxamide
InChI:
InChI=1S/C22H25N3O/c1-16(2)14-15-23-22(26)20-17(3)25(19-12-8-5-9-13-19)24-21(20)18-10-6-4-7-11-18/h4-13,16H,14-15H2,1-3H3,(H,23,26)
InChI Key:
KAHHFAWBDLOGPJ-UHFFFAOYSA-N
SMILES:
CC(CCNC(=O)c1c(nn(c1C)c1ccccc1)c1ccccc1)C
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.2g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
347.462g/mol
Monoisotopic Mass:
347.2g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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