1-(4-Methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid - CAS 98534-84-0
Catalog: |
BB042180 |
Product Name: |
1-(4-Methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid |
CAS: |
98534-84-0 |
Synonyms: |
1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid |
IUPAC Name: | 1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid |
Description: | 1-(4-Methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid (CAS# 98534-84-0) is a useful research chemical. |
Molecular Weight: | 270.21 |
Molecular Formula: | C12H9F3N2O2 |
Canonical SMILES: | CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)O)C(F)(F)F |
InChI: | InChI=1S/C12H9F3N2O2/c1-7-2-4-8(5-3-7)17-10(12(13,14)15)9(6-16-17)11(18)19/h2-6H,1H3,(H,18,19) |
InChI Key: | QMBUSCJEARRTEH-UHFFFAOYSA-N |
Boiling Point: | 377.8 °C at 760 mmHg |
Density: | 1.4 g/cm3 |
Appearance: | Solid |
MDL: | MFCD03934805 |
LogP: | 2.89770 |
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 |
WO-2020146779-A1 | mTORC1 INHIBITORS FOR ACTIVATING AUTOPHAGY | 20190111 |
EP-2462139-B1 | Sphingosine-1-phosphate receptor agonists | 20090807 |
ES-2533095-T3 | Sphingosine-1-phosphate receptor agonists | 20090807 |
US-2011190255-A1 | Heterocyclic compounds | 20090807 |
US-8399451-B2 | Heterocyclic compounds | 20090807 |
Complexity: | 340 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 270.06161202 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 270.06161202 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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