| CAS Number | 36210-76-1 |
| Catalog Number | AG00CLCD(AGN-PC-0N0CLC) |
| Chemical Name | 2-Cyclohexyl-5-methyl-2,4-dihydro-pyrazol-3-one |
| IUPAC Name | 2-cyclohexyl-5-methyl-4H-pyrazol-3-one |
| InChI | InChI=1S/C10H16N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h9H,2-7H2,1H3 |
| InChI Key | CLCIJTSYLYHCAX-UHFFFAOYSA-N |
| MDL Number | MFCD00460245 |
| Molecular Formula | C10H16N2O |
| Molecular Weight | 180.2468 |
| SMILES | O=C1N(C2CCCCC2)N=C(C)C1 |
| Synonyms | 36210-76-1,
2-Cyclohexyl-5-methyl-2,4-dihydro-pyrazol-3-one,
1-cyclohexyl-3-methyl-1H-pyrazol-5(4H)-one,
SCHEMBL853994,
CHEMBL220663,
CLCIJTSYLYHCAX-UHFFFAOYSA-N,
ZINC28887147,
AKOS010523873,
CM10384,
Z-9023,
2-Cyclohexyl-5-methyl-2,4-dihydro-3H-pyrazol-3-one,
CID10192605,
2-cyclohexyl-5-methyl-4H-pyrazol-3-one,
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| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.251g/mol |
| Monoisotopic Mass | 180.126g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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