5-(4-Chlorophenyl)pyrazole-3-carboxylic Acid - CAS 54006-63-2
Catalog: |
BB028451 |
Product Name: |
5-(4-Chlorophenyl)pyrazole-3-carboxylic Acid |
CAS: |
54006-63-2 |
Synonyms: |
3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid; 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid |
IUPAC Name: | 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid |
Description: | 5-(4-Chlorophenyl)pyrazole-3-carboxylic Acid (CAS# 54006-63-2) is a useful research chemical. |
Molecular Weight: | 222.63 |
Molecular Formula: | C10H7ClN2O2 |
Canonical SMILES: | C1=CC(=CC=C1C2=NNC(=C2)C(=O)O)Cl |
InChI: | InChI=1S/C10H7ClN2O2/c11-7-3-1-6(2-4-7)8-5-9(10(14)15)13-12-8/h1-5H,(H,12,13)(H,14,15) |
InChI Key: | WYTQCLKZYRFUIQ-UHFFFAOYSA-N |
Boiling Point: | 515.7 °C at 760 mmHg |
Density: | 1.476 g/cm3 |
MDL: | MFCD03715908 |
LogP: | 2.42830 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2018199208-A1 | Nitrogen-containing 5-membered ring heterocyclic compound or salt thereof, insecticide for agriculture and horticulture containing compound thereof, and method for using same | 20170427 |
JP-2020128340-A | 5-membered nitrogen-containing heterocyclic compound or salt thereof, agricultural and horticultural insecticide containing the compound, and method of using the same | 20170427 |
EP-3068785-A1 | Substituted 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine derivatives as casein kinase 1 d/e inhibitors | 20131114 |
WO-2015073763-A1 | Substituted 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine derivatives as casein kinase 1 d/e inhibitors | 20131114 |
KR-101657678-B1 | Novel compound, method for preparation thereof, and antifungal composition comprising the same | 20131105 |
PMID | Publication Date | Title | Journal |
12930155 | 20030828 | Pyrazole derivatives as partial agonists for the nicotinic acid receptor | Journal of medicinal chemistry |
Complexity: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.0196052 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.0196052 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 66 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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