Ethyl 4,5-Dimethylpyrazole-3-carboxylate - CAS 15803-27-7
Catalog: |
BB011388 |
Product Name: |
Ethyl 4,5-Dimethylpyrazole-3-carboxylate |
CAS: |
15803-27-7 |
Synonyms: |
4,5-dimethyl-1H-pyrazole-3-carboxylic acid ethyl ester; ethyl 4,5-dimethyl-1H-pyrazole-3-carboxylate |
IUPAC Name: | ethyl 4,5-dimethyl-1H-pyrazole-3-carboxylate |
Description: | Ethyl 4,5-Dimethylpyrazole-3-carboxylate (CAS# 15803-27-7) is a useful research chemical compound. |
Molecular Weight: | 168.19 |
Molecular Formula: | C8H12N2O2 |
Canonical SMILES: | CCOC(=O)C1=NNC(=C1C)C |
InChI: | InChI=1S/C8H12N2O2/c1-4-12-8(11)7-5(2)6(3)9-10-7/h4H2,1-3H3,(H,9,10) |
InChI Key: | NFKJSKVAOLQEDS-UHFFFAOYSA-N |
LogP: | 1.20320 |
Publication Number | Title | Priority Date |
WO-2021009068-A1 | N-substituted-3,4-(fused 5-ring)-5-phenyl-pyrrolidine-2-one compounds as inhibitors of isoqc and/or qc enzyme | 20190712 |
US-10226449-B2 | Heterocyclic modulators of lipid synthesis and combinations thereof | 20131220 |
WO-2015095767-A1 | Heterocyclic modulators of lipid synthesis and combinations thereof | 20131220 |
EP-3083583-B1 | Heterocyclic modulators of lipid synthesis and combinations thereof | 20131220 |
EP-3004110-B1 | Pyrazolopyrrolidine derivatives and their use in the treatment of disease | 20130527 |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.08987763 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.08987763 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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