Ethyl 5-Hydroxy-1-methylpyrazole-3-carboxylate - CAS 51986-17-5
Catalog: |
BB027671 |
Product Name: |
Ethyl 5-Hydroxy-1-methylpyrazole-3-carboxylate |
CAS: |
51986-17-5 |
Synonyms: |
2-methyl-3-oxo-1H-pyrazole-5-carboxylic acid ethyl ester; ethyl 2-methyl-3-oxo-1H-pyrazole-5-carboxylate |
IUPAC Name: | ethyl 2-methyl-3-oxo-1H-pyrazole-5-carboxylate |
Description: | Ethyl 5-Hydroxy-1-methylpyrazole-3-carboxylate (CAS# 51986-17-5) is a useful research chemical. |
Molecular Weight: | 170.17 |
Molecular Formula: | C7H10N2O3 |
Canonical SMILES: | CCOC(=O)C1=CC(=O)N(N1)C |
InChI: | InChI=1S/C7H10N2O3/c1-3-12-7(11)5-4-6(10)9(2)8-5/h4,8H,3H2,1-2H3 |
InChI Key: | OMGLOQRFAJAMTB-UHFFFAOYSA-N |
Boiling Point: | 337.2 ℃ at 760 mmHg |
Density: | 1.29 g/cm3 |
MDL: | MFCD09839084 |
LogP: | 0.30240 |
Publication Number | Title | Priority Date |
CN-112079781-A | Synthesis method of 5-bromo-1-methyl-1H-pyrazol-3-amine | 20200930 |
WO-2021026672-A1 | Heterocyclic wdr5 inhibitors as anti-cancer compounds | 20190809 |
WO-2021028806-A1 | Heterocyclic wdr5 inhibitors as anti-cancer compounds | 20190809 |
WO-2020198026-A1 | Compounds and uses thereof | 20190322 |
WO-2019183587-A1 | Compounds and uses thereof | 20180323 |
Complexity: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.06914219 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.06914219 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 58.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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