3-Isopropylpyrazole-5-carboxylic acid - CAS 92933-47-6
Catalog: |
BB040721 |
Product Name: |
3-Isopropylpyrazole-5-carboxylic acid |
CAS: |
92933-47-6 |
Synonyms: |
5-propan-2-yl-1H-pyrazole-3-carboxylic acid |
IUPAC Name: | 5-propan-2-yl-1H-pyrazole-3-carboxylic acid |
Description: | 3-Isopropylpyrazole-5-carboxylic acid (CAS# 92933-47-6) is a reactant in the preparation of pyrazole derivatives as partial agonists for nicotinic acid receptor. |
Molecular Weight: | 154.17 |
Molecular Formula: | C7H10N2O2 |
Canonical SMILES: | CC(C)C1=CC(=NN1)C(=O)O |
InChI: | InChI=1S/C7H10N2O2/c1-4(2)5-3-6(7(10)11)9-8-5/h3-4H,1-2H3,(H,8,9)(H,10,11) |
InChI Key: | CHWXKAHFWLSLOQ-UHFFFAOYSA-N |
Boiling Point: | 357.8 ℃ at 760 mmHg |
Density: | 1.247 g/cm3 |
MDL: | MFCD02224142 |
LogP: | 1.23130 |
GHS Hazard Statement: | H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021010492-A1 | Compound having kdm5 inhibitory activity and pharmaceutical use thereof | 20190717 |
WO-2020012427-A1 | Compounds and compositions for the treatment of cystic fibrosis | 20180713 |
CA-3106438-A1 | Compounds and compositions for the treatment of cystic fibrosis | 20180713 |
EP-3820867-A1 | Compounds and compositions for the treatment of cystic fibrosis | 20180713 |
US-2021292324-A1 | Compounds and compositions for the treatment of cystic fibrosis | 20180713 |
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 |
17452318 | 20070622 | Nicotinic acid receptor agonists differentially activate downstream effectors | The Journal of biological chemistry |
12930155 | 20030828 | Pyrazole derivatives as partial agonists for the nicotinic acid receptor | Journal of medicinal chemistry |
Complexity: | 159 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.074227566 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 66 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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Carbonyl Compounds
Pyrazoles
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