Methyl 1-Ethyl-1H-pyrazole-5-carboxylate - CAS 119458-46-7
Catalog: |
BB051754 |
Product Name: |
Methyl 1-Ethyl-1H-pyrazole-5-carboxylate |
CAS: |
119458-46-7 |
Synonyms: |
1H-Pyrazole-5-carboxylic acid, 1-ethyl-, methylester(9CI); methyl 1-ethylpyrazole-5-carboxylate; 2-ethyl-3-methoxycarbonylpyrazole |
IUPAC Name: | methyl 2-ethylpyrazole-3-carboxylate |
Molecular Weight: | 154.17 |
Molecular Formula: | C7H10N2O2 |
Canonical SMILES: | CCN1C(=CC=N1)C(=O)OC |
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 |
Purity: | 95% |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.074227566 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 44.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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