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125103-46-0 | 1H-Pyrazole-4-carboxamide, 5-methyl-1,3-diphenyl-N,N-dipropyl-
CAS No: 125103-46-0 Catalog No: AG000N7J MDL No:
Product Description
Catalog Number:
AG000N7J
Chemical Name:
1H-Pyrazole-4-carboxamide, 5-methyl-1,3-diphenyl-N,N-dipropyl-
CAS Number:
125103-46-0
Molecular Formula:
C23H27N3O
Molecular Weight:
361.4800
IUPAC Name:
5-methyl-1,3-diphenyl-N,N-dipropylpyrazole-4-carboxamide
InChI:
InChI=1S/C23H27N3O/c1-4-16-25(17-5-2)23(27)21-18(3)26(20-14-10-7-11-15-20)24-22(21)19-12-8-6-9-13-19/h6-15H,4-5,16-17H2,1-3H3
InChI Key:
MYQMRAYZGYAGHU-UHFFFAOYSA-N
SMILES:
CCCN(C(=O)c1c(nn(c1C)c1ccccc1)c1ccccc1)CCC
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.215g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
361.489g/mol
Monoisotopic Mass:
361.215g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
38.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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