1-Ethyl-5-methyl-1H-pyrazole-3-carboxylic acid - CAS 50920-46-2
Catalog: |
BB027271 |
Product Name: |
1-Ethyl-5-methyl-1H-pyrazole-3-carboxylic acid |
CAS: |
50920-46-2 |
Synonyms: |
1-ethyl-5-methylpyrazole-3-carboxylic acid |
IUPAC Name: | 1-ethyl-5-methylpyrazole-3-carboxylic acid |
Description: | 1-Ethyl-5-methyl-1H-pyrazole-3-carboxylic acid (CAS# 50920-46-2) is a useful research chemical. |
Molecular Weight: | 154.17 |
Molecular Formula: | C7H10N2O2 |
Canonical SMILES: | CCN1C(=CC(=N1)C(=O)O)C |
InChI: | InChI=1S/C7H10N2O2/c1-3-9-5(2)4-6(8-9)7(10)11/h4H,3H2,1-2H3,(H,10,11) |
InChI Key: | DMGJEACTEOFQPI-UHFFFAOYSA-N |
Boiling Point: | 308.502 °C at 760 mmHg |
Density: | 1.234 g/cm3 |
MDL: | MFCD08445953 |
LogP: | 0.90960 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021180193-A1 | Pyrazole carboxylate compound and use thereof | 20200313 |
CN-112939958-A | Condensed ring acyl compound and application thereof | 20191210 |
WO-2020119612-A1 | Pyrazole amide compound and application thereof as herbicide | 20181212 |
CN-111303126-A | Pyrazole amide compound and application thereof as herbicide | 20181212 |
CN-108863936-A | A kind of pyrazoles N- alkylation | 20180628 |
Complexity: | 161 |
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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.074227566 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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