| CAS Number | 1037061-95-2 |
| Catalog Number | AG01A2Y6(AGN-PC-0WO91P) |
| Chemical Name | 3-cyclohexyl-1H-pyrazole-5-carboxylic acid |
| IUPAC Name | 5-cyclohexyl-1H-pyrazole-3-carboxylic acid |
| InChI | InChI=1S/C10H14N2O2/c13-10(14)9-6-8(11-12-9)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,11,12)(H,13,14) |
| InChI Key | UZBZBNDRCGYRRL-UHFFFAOYSA-N |
| MDL Number | MFCD17193820 |
| Molecular Formula | C10H14N2O2 |
| Molecular Weight | 194.2304 |
| SMILES | O=C(C1=CC(C2CCCCC2)=NN1)O |
| Synonyms | 3-cyclohexyl-1H-pyrazole-5-carboxylic acid,
5-cyclohexyl-1H-pyrazole-3-carboxylic Acid,
1037061-95-2,
AC1MLYRW,
SCHEMBL16564029,
ZINC6088005,
AKOS013919328,
AKOS023432967,
MCULE-8119772940,
NE29380,
Z1536942828,
CID3252655,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.234g/mol |
| Monoisotopic Mass | 194.106g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number