Ethyl 5-Hydroxy-4-methylpyrazole-3-carboxylate - CAS 60178-98-5
Catalog: |
BB030609 |
Product Name: |
Ethyl 5-Hydroxy-4-methylpyrazole-3-carboxylate |
CAS: |
60178-98-5 |
Synonyms: |
4-methyl-5-oxo-1,2-dihydropyrazole-3-carboxylic acid ethyl ester; ethyl 4-methyl-5-oxo-1,2-dihydropyrazole-3-carboxylate |
IUPAC Name: | ethyl 4-methyl-5-oxo-1,2-dihydropyrazole-3-carboxylate |
Description: | Ethyl 5-Hydroxy-4-methylpyrazole-3-carboxylate (CAS# 60178-98-5) is a useful research chemical. |
Molecular Weight: | 170.17 |
Molecular Formula: | C7H10N2O3 |
Canonical SMILES: | CCOC(=O)C1=C(C(=O)NN1)C |
InChI: | InChI=1S/C7H10N2O3/c1-3-12-7(11)5-4(2)6(10)9-8-5/h3H2,1-2H3,(H2,8,9,10) |
InChI Key: | UZYUEVONCXSOKT-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
CA-3080893-A1 | Alkene spirocyclic compounds as farnesoid x receptor modulators | 20171101 |
US-2019127358-A1 | Bridged bicyclic compounds as farnesoid x receptor modulators | 20171101 |
BR-112020008121-A2 | spirocyclic alkene compounds as farnesoid x receptor modulators | 20171101 |
EP-3704113-A1 | Bridged bicyclic compounds as farnesoid x receptor modulators | 20171101 |
US-10730863-B2 | Bridged bicyclic compounds as farnesoid X receptor modulators | 20171101 |
Complexity: | 257 |
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: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.06914219 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 67.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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