Ethyl 3-pyrazolecarboxylate - CAS 5932-27-4
Catalog: |
BB030342 |
Product Name: |
Ethyl 3-pyrazolecarboxylate |
CAS: |
5932-27-4 |
Synonyms: |
ethyl 1H-pyrazole-5-carboxylate |
IUPAC Name: | ethyl 1H-pyrazole-5-carboxylate |
Description: | Ethyl 3-pyrazolecarboxylate (CAS# 5932-27-4) is a useful research chemical. |
Molecular Weight: | 140.14 |
Molecular Formula: | C6H8N2O2 |
Canonical SMILES: | CCOC(=O)C1=CC=NN1 |
InChI: | InChI=1S/C6H8N2O2/c1-2-10-6(9)5-3-4-7-8-5/h3-4H,2H2,1H3,(H,7,8) |
InChI Key: | MSPOSRHJXMILNK-UHFFFAOYSA-N |
Boiling Point: | 279 ℃ |
Purity: | 97.0 % |
Density: | 1.214 g/cm3 |
MDL: | MFCD00159643 |
LogP: | 0.58640 |
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-2021127586-A1 | Protein tyrosine phosphatase degraders and methods of use thereof | 20191220 |
US-2021094951-A1 | Inhibitors of receptor interacting protein kinase i for the treatment of disease | 20190906 |
WO-2021046515-A1 | Inhibitors of receptor interacting protein kinase i for the treatment of disease | 20190906 |
WO-2021018118-A1 | Compounds and methods for the targeted degradation of interleukin-1 receptor-associated kinase 1 proteins | 20190729 |
US-2021009525-A1 | Crystalline forms of plasma kallikrein inhibitors | 20190708 |
Complexity: | 127 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.058577502 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.058577502 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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Carbonyl Compounds
Pyrazoles
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