| CAS Number | 1341723-54-3 |
| Catalog Number | AG01B8CZ(AGN-PC-0WOU0A) |
| Chemical Name | 1-(1-cyclopentyl-1H-pyrazol-4-yl)ethan-1-one |
| IUPAC Name | 1-(1-cyclopentylpyrazol-4-yl)ethanone |
| InChI | InChI=1S/C10H14N2O/c1-8(13)9-6-11-12(7-9)10-4-2-3-5-10/h6-7,10H,2-5H2,1H3 |
| InChI Key | RCUISZZKUWQPJX-UHFFFAOYSA-N |
| MDL Number | MFCD16861513 |
| Molecular Formula | C10H14N2O |
| Molecular Weight | 178.2310 |
| SMILES | CC(C1=CN(C2CCCC2)N=C1)=O |
| Synonyms | 1-(1-cyclopentyl-1H-pyrazol-4-yl)ethan-1-one,
1341723-54-3,
ZINC54716062,
AKOS012020087,
F8888-3144,
Z1998850404,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.235g/mol |
| Monoisotopic Mass | 178.111g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number