3-(4-Fluorophenyl)pyrazole-4-carboxylic Acid - CAS 618383-44-1
Catalog: |
BB031283 |
Product Name: |
3-(4-Fluorophenyl)pyrazole-4-carboxylic Acid |
CAS: |
618383-44-1 |
Synonyms: |
5-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid; 5-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid |
IUPAC Name: | 5-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid |
Description: | 3-(4-Fluorophenyl)pyrazole-4-carboxylic Acid (CAS# 618383-44-1) is a useful research chemical. |
Molecular Weight: | 206.17 |
Molecular Formula: | C10H7FN2O2 |
Canonical SMILES: | C1=CC(=CC=C1C2=C(C=NN2)C(=O)O)F |
InChI: | InChI=1S/C10H7FN2O2/c11-7-3-1-6(2-4-7)9-8(10(14)15)5-12-13-9/h1-5H,(H,12,13)(H,14,15) |
InChI Key: | PVFRXBPKNHHXFE-UHFFFAOYSA-N |
Boiling Point: | 424.5 °C at 760 mmHg |
Density: | 1.441 g/cm3 |
MDL: | MFCD03834502 |
LogP: | 1.91400 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-2739143-B1 | Preparation and methods of use for ortho-aryl 5- membered heteroaryl-carboxamide containing multi-targeted kinase inhibitors | 20110805 |
US-2014228367-A1 | Preparation and methods of use for ortho-aryl 5-membered heteroaryl-carboxamide containing multi-targeted kinase inhibitors | 20110805 |
US-2016303128-A1 | Preparation and methods of use for ortho-aryl 5-membered heteroaryl-carboxamide containing multi-targeted kinase inhibitors | 20110805 |
US-2018125848-A1 | Preparation and methods of use for ortho-aryl 5-membered heteroaryl-carboxamide containing multi-targeted kinase inhibitors | 20110805 |
US-9221805-B2 | Preparation and methods of use for ortho-aryl 5-membered heteroaryl-carboxamide containing multi-targeted kinase inhibitors | 20110805 |
PMID | Publication Date | Title | Journal |
21588995 | 20101013 | 3-Ethyl-6-[3-(4-fluoro-phen-yl)-1H-pyrazol-4-yl]-1,2,4-triazolo[3,4-b][1,3,4]thia-diazole | Acta crystallographica. Section E, Structure reports online |
Complexity: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.04915563 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.04915563 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 66 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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