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1156760-52-9 | 1H-Pyrazole-4-methanamine, N-cyclopentyl-3,5-dimethyl-1-phenyl-
CAS No: 1156760-52-9 Catalog No: AG000GQ9 MDL No:
Product Description
Catalog Number:
AG000GQ9
Chemical Name:
1H-Pyrazole-4-methanamine, N-cyclopentyl-3,5-dimethyl-1-phenyl-
CAS Number:
1156760-52-9
Molecular Formula:
C17H23N3
Molecular Weight:
269.3846
IUPAC Name:
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]cyclopentanamine
InChI:
InChI=1S/C17H23N3/c1-13-17(12-18-15-8-6-7-9-15)14(2)20(19-13)16-10-4-3-5-11-16/h3-5,10-11,15,18H,6-9,12H2,1-2H3
InChI Key:
WGJUMEIZGYYDPY-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1CNC1CCCC1)C)c1ccccc1
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.189g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.392g/mol
Monoisotopic Mass:
269.189g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Synthesis and biological evaluation of imidazole derivatives as novel NOP/ORL1 receptor antagonists: exploration and optimization of alternative pyrazole structure. | Bioorganic & medicinal chemistry letters 20090815 |
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