| CAS Number | 1072944-47-8 |
| Catalog Number | AG0082EB(AGN-PC-0WAE06) |
| Chemical Name | Methyl 5-Cyclopropyl-1-(Pyridin-2-Yl)-1H-Pyrazole-4-Carboxylate |
| IUPAC Name | methyl 5-cyclopropyl-1-pyridin-2-ylpyrazole-4-carboxylate |
| InChI | InChI=1S/C13H13N3O2/c1-18-13(17)10-8-15-16(12(10)9-5-6-9)11-4-2-3-7-14-11/h2-4,7-9H,5-6H2,1H3 |
| InChI Key | KJDDTEUYLRYFRF-UHFFFAOYSA-N |
| MDL Number | MFCD11504891 |
| Molecular Formula | C13H13N3O2 |
| Molecular Weight | 243.2612 |
| SMILES | COC(=O)c1cnn(c1C1CC1)c1ccccn1 |
| Synonyms | METHYL 5-CYCLOPROPYL-1-(PYRIDIN-2-YL)-1H-PYRAZOLE-4-CARBOXYLATE,
1072944-47-8,
ACMC-2098ow,
CTK4A5146,
DTXSID80674743,
ANW-15534,
MFCD11504891,
ZINC38537189,
AKOS015840803,
RTR-001448,
AJ-95954,
AX8230042,
TR-001448,
ST24025425,
Z6957,
A-4452,
I14-25168,
C13H13N3O2,
METHYL5-CYCLOPROPYL-1-(PYRIDIN-2-YL)-1H-PYRAZOLE-4-CARBOXYLATE,
|
| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.266g/mol |
| Monoisotopic Mass | 243.101g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 57A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number