5-Acetyl-2H-pyrazole-3-carboxylic Acid Ethyl Ester - CAS 37622-89-2
Catalog: |
BB061236 |
Product Name: |
5-Acetyl-2H-pyrazole-3-carboxylic Acid Ethyl Ester |
CAS: |
37622-89-2 |
Synonyms: |
Ethyl 5-acetyl-1H-pyrazole-3-carboxylate; 5-ACETYL-2H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER; ethyl 3-acetyl-1H-pyrazole-5-carboxylate; 5-acetyl-1H-pyrazole-3-carboxylic acid ethyl ester; 1H-Pyrazole-3-carboxylic acid, 5-acetyl-, ethyl ester |
IUPAC Name: | ethyl 3-acetyl-1H-pyrazole-5-carboxylate |
Description: | 5-Acetyl-2H-pyrazole-3-carboxylic Acid Ethyl Ester (cas# 37622-89-2) is a useful research chemical. |
Molecular Weight: | 182.18 |
Molecular Formula: | C8H10N2O3 |
Canonical SMILES: | CCOC(=O)C1=CC(=NN1)C(=O)C |
InChI: | InChI=1S/C8H10N2O3/c1-3-13-8(12)7-4-6(5(2)11)9-10-7/h4H,3H2,1-2H3,(H,9,10) |
InChI Key: | DUGSTTIFTRKIBL-UHFFFAOYSA-N |
Melting Point: | 107-110°C |
Solubility: | DMSO (Slightly), Methanol (Slightly) |
Appearance: | Brown to Dark Yellow Solid |
Storage: | -20°C, Inert atmosphere |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2022010828-A1 | Plasma kallikrein inhibitors | 20200710 |
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WO-2021123266-A1 | Anti-malarial agents | 20191220 |
CN-110590668-A | Preparation method of N- [ (1S) -2- [3- (3-chloro-4-cyanophenyl) -1H-pyrazol-1-yl ] -1-methylethyl ] -5- (1-hydroxyethyl) -1H-pyrazole-3-formamide | 20190717 |
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CN-111620821-B | Substituted pyrazole compounds, compositions containing the same and uses thereof | 20190227 |
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Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.06914219 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.06914219 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 72Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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