| CAS Number | 3201-22-7 |
| Catalog Number | AG01DWC5(AGN-PC-0L03W5) |
| Chemical Name | 3-methoxy-5-methyl-1H-pyrazole |
| IUPAC Name | 3-methoxy-5-methyl-1H-pyrazole |
| InChI | InChI=1S/C5H8N2O/c1-4-3-5(8-2)7-6-4/h3H,1-2H3,(H,6,7) |
| InChI Key | GZWAVQOMDAZDIT-UHFFFAOYSA-N |
| MDL Number | MFCD27949310 |
| Molecular Formula | C5H8N2O |
| Molecular Weight | 112.1298 |
| SMILES | COC1NN=C(C)C=1 |
| Synonyms | 3-methoxy-5-methyl-1H-pyrazole,
1h-pyrazole,3-methoxy-5-methyl-,
3201-22-7,
5-methoxy-3-methylpyrazole,
AC1MXH6F,
SCHEMBL3261591,
SCHEMBL11899974,
ZINC5285841,
1H-Pyrazole, 3-methoxy-5-methyl-,
AKOS015866813,
MCULE-8775930584,
5-METHOXY-3-METHYL-1H-PYRAZOLE,
59593-35-0,
CID3790357,
|
| Complexity | 76.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 112.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 112.132g/mol |
| Monoisotopic Mass | 112.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number