3-Cyclopropylpyrazole-5-carboxylic acid - CAS 401629-04-7
Catalog: |
BB024342 |
Product Name: |
3-Cyclopropylpyrazole-5-carboxylic acid |
CAS: |
401629-04-7 |
Synonyms: |
5-cyclopropyl-1H-pyrazole-3-carboxylic acid |
IUPAC Name: | 5-cyclopropyl-1H-pyrazole-3-carboxylic acid |
Description: | 3-Cyclopropylpyrazole-5-carboxylic acid (CAS# 401629-04-7) is a useful research chemical. |
Molecular Weight: | 152.15 |
Molecular Formula: | C7H8N2O2 |
Canonical SMILES: | C1CC1C2=CC(=NN2)C(=O)O |
InChI: | InChI=1S/C7H8N2O2/c10-7(11)6-3-5(8-9-6)4-1-2-4/h3-4H,1-2H2,(H,8,9)(H,10,11) |
InChI Key: | GNWMHLBUCXEXPE-UHFFFAOYSA-N |
Boiling Point: | 429.3 °C at 760 mmHg |
Melting Point: | 195-199 °C (lit.) |
Purity: | 95 % |
Density: | 1.499 g/cm3 |
Appearance: | Solid |
MDL: | MFCD03834492 |
LogP: | 0.98530 |
GHS Hazard Statement: | H301 (90.7%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P310, P305+P351+P338, P321, P330, P337+P313, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021010492-A1 | Compound having kdm5 inhibitory activity and pharmaceutical use thereof | 20190717 |
CN-109384957-A | A kind of preparation method of neo-epoxy resin plasticizer | 20180925 |
WO-2020012427-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 |
Complexity: | 179 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 152.058577502 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 152.058577502 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 66 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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Carbonyl Compounds
Pyrazoles
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