| CAS Number | 119458-46-7 |
| Catalog Number | AG009PWW(AGN-PC-0PDD2L) |
| Chemical Name | 1H-Pyrazole-5-carboxylicacid,1-ethyl-,methylester(9CI) |
| IUPAC Name | methyl 2-ethylpyrazole-3-carboxylate |
| InChI | InChI=1S/C7H10N2O2/c1-3-9-6(4-5-8-9)7(10)11-2/h4-5H,3H2,1-2H3 |
| InChI Key | JNPIKIIETKZOLK-UHFFFAOYSA-N |
| MDL Number | MFCD13174882 |
| Molecular Formula | C7H10N2O2 |
| Molecular Weight | 154.1665 |
| SMILES | C(C)N1N=CC=C1C(=O)OC |
| Synonyms | Methyl 1-Ethyl-1H-pyrazole-5-carboxylate,
119458-46-7,
methyl 1-ethylpyrazole-5-carboxylate,
1-ETHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID METHYL ESTER,
2-ethyl-3-methoxycarbonylpyrazole,
DTXSID00555707,
MFCD13174882,
SBB073519,
ZINC39057746,
AKOS005169455,
MCULE-8272890838,
ST45255739,
1H-Pyrazole-5-carboxylicacid,1-ethyl-,methylester(9CI),
1H-Pyrazole-5-carboxylic acid, 1-ethyl-, methyl ester (9CI),
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| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.169g/mol |
| Monoisotopic Mass | 154.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
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