| CAS Number | 1225929-99-6 |
| Catalog Number | AG01DHAC |
| Chemical Name | 1-(4-chlorophenyl)-3-cyclohexyl-1H-pyrazol-5-amine |
| IUPAC Name | 2-(4-chlorophenyl)-5-cyclohexylpyrazol-3-amine |
| InChI | InChI=1S/C15H18ClN3/c16-12-6-8-13(9-7-12)19-15(17)10-14(18-19)11-4-2-1-3-5-11/h6-11H,1-5,17H2 |
| InChI Key | AVXCHJINYIOFCR-UHFFFAOYSA-N |
| MDL Number | MFCD16343610 |
| Molecular Formula | C15H18ClN3 |
| Molecular Weight | 275.7765 |
| SMILES | Nc1cc(nn1-c1ccc(Cl)cc1)C1CCCCC1 |
| Synonyms | 1-(4-Chlorophenyl)-3-cyclohexyl-1H-pyrazol-5-amine,
1225929-99-6,
|
| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.119g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.78g/mol |
| Monoisotopic Mass | 275.119g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
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Certificate of Analysis
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