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125103-43-7 | 1H-Pyrazole-4-carboxamide, N,5-dimethyl-1,3-diphenyl-N-(phenylmethyl)-
CAS No: 125103-43-7 Catalog No: AG000N7K MDL No:
Product Description
Catalog Number:
AG000N7K
Chemical Name:
1H-Pyrazole-4-carboxamide, N,5-dimethyl-1,3-diphenyl-N-(phenylmethyl)-
CAS Number:
125103-43-7
Molecular Formula:
C25H23N3O
Molecular Weight:
381.4696
IUPAC Name:
N-benzyl-N,5-dimethyl-1,3-diphenylpyrazole-4-carboxamide
InChI:
InChI=1S/C25H23N3O/c1-19-23(25(29)27(2)18-20-12-6-3-7-13-20)24(21-14-8-4-9-15-21)26-28(19)22-16-10-5-11-17-22/h3-17H,18H2,1-2H3
InChI Key:
BJUUCLKONVGHQU-UHFFFAOYSA-N
SMILES:
O=C(c1c(nn(c1C)c1ccccc1)c1ccccc1)N(Cc1ccccc1)C
Properties
Complexity:
520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.184g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
381.479g/mol
Monoisotopic Mass:
381.184g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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