5-ethyl-1H-pyrazole-3-carboxylic acid - CAS 4027-59-2
Catalog: |
BB024415 |
Product Name: |
5-ethyl-1H-pyrazole-3-carboxylic acid |
CAS: |
4027-59-2 |
Synonyms: |
5-ethyl-1H-pyrazole-3-carboxylic acid; 5-ethyl-1H-pyrazole-3-carboxylic acid |
IUPAC Name: | 5-ethyl-1H-pyrazole-3-carboxylic acid |
Description: | 5-ethyl-1H-pyrazole-3-carboxylic acid (CAS# 4027-59-2) is a useful research chemical. |
Molecular Weight: | 140.142 |
Molecular Formula: | C6H8N2O2 |
Canonical SMILES: | CCC1=CC(=NN1)C(=O)O |
InChI: | InChI=1S/C6H8N2O2/c1-2-4-3-5(6(9)10)8-7-4/h3H,2H2,1H3,(H,7,8)(H,9,10) |
InChI Key: | WCQYJWRMYFJLRQ-UHFFFAOYSA-N |
Boiling Point: | 385.5 °C at 760 mmHg |
Density: | 1.318 g/cm3 |
MDL: | MFCD06742804 |
LogP: | 0.67030 |
Publication Number | Title | Priority Date |
WO-2021010492-A1 | Compound having kdm5 inhibitory activity and pharmaceutical use thereof | 20190717 |
US-10376494-B2 | Carboxamide derivative and its diastereomers in stable crystalline form | 20150130 |
US-2019321333-A1 | Carboxamide derivative and its diastereomers in stable crystalline form | 20150130 |
CN-103508959-A | Synthesis method of 1-methyl-3-ethyl-5-pyrazolyl ethyl carboxylate | 20131021 |
TW-201410653-A | Enkephalinase inhibitor | 20120808 |
PMID | Publication Date | Title | Journal |
17804224 | 20071015 | Fluorinated pyrazole acids are agonists of the high affinity niacin receptor GPR109a | Bioorganic & medicinal chemistry letters |
17588745 | 20070901 | Agonist lead identification for the high affinity niacin receptor GPR109a | Bioorganic & medicinal chemistry letters |
Complexity: | 138 |
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: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.058577502 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 66 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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Pyrazoles
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