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125103-56-2 | 1H-Pyrazole-4-acetamide, N-butyl-3,5-dimethyl-1-phenyl-
CAS No: 125103-56-2 Catalog No: AG000N7H MDL No:
Product Description
Catalog Number:
AG000N7H
Chemical Name:
1H-Pyrazole-4-acetamide, N-butyl-3,5-dimethyl-1-phenyl-
CAS Number:
125103-56-2
Molecular Formula:
C17H23N3O
Molecular Weight:
285.3840
IUPAC Name:
N-butyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
InChI:
InChI=1S/C17H23N3O/c1-4-5-11-18-17(21)12-16-13(2)19-20(14(16)3)15-9-7-6-8-10-15/h6-10H,4-5,11-12H2,1-3H3,(H,18,21)
InChI Key:
TYEQOPUQTBJCKA-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)Cc1c(C)nn(c1C)c1ccccc1
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.184g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.391g/mol
Monoisotopic Mass:
285.184g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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