| CAS Number | 1249606-57-2 |
| Catalog Number | AG01AIPW |
| Chemical Name | 3-cyclopentyl-1-methyl-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 3-cyclopentyl-1-methylpyrazole-4-carboxylic acid |
| InChI | InChI=1S/C10H14N2O2/c1-12-6-8(10(13)14)9(11-12)7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,13,14) |
| InChI Key | BFJJTMAWFVZDQV-UHFFFAOYSA-N |
| MDL Number | MFCD16830394 |
| Molecular Formula | C10H14N2O2 |
| Molecular Weight | 194.2304 |
| SMILES | CN1N=C(C2CCCC2)C(C(O)=O)=C1 |
| Synonyms | 3-cyclopentyl-1-methyl-1H-pyrazole-4-carboxylic acid,
1249606-57-2,
ZINC54078286,
AKOS011924937,
|
| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.105528g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.23g/mol |
| Monoisotopic Mass | 194.105528g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number