3-(Trifluoromethyl)pyrazole-4-carbonitrile - CAS 318951-60-9
Catalog: |
BB021091 |
Product Name: |
3-(Trifluoromethyl)pyrazole-4-carbonitrile |
CAS: |
318951-60-9 |
Synonyms: |
5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile; 5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile |
IUPAC Name: | 5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile |
Description: | 3-(Trifluoromethyl)pyrazole-4-carbonitrile (CAS# 318951-60-9) is used as a reactant in the preparation of herbicidal (azolyl)phenoxypyrimidines. |
Molecular Weight: | 161.08 |
Molecular Formula: | C5H2F3N3 |
Canonical SMILES: | C1=NNC(=C1C#N)C(F)(F)F |
InChI: | InChI=1S/C5H2F3N3/c6-5(7,8)4-3(1-9)2-10-11-4/h2H,(H,10,11) |
InChI Key: | HNIRANRLHUHUOS-UHFFFAOYSA-N |
Boiling Point: | 302.6 ℃ at 760 mmHg |
Density: | 1.53 g/cm3 |
LogP: | 1.30018 |
Publication Number | Title | Priority Date |
WO-2021202936-A1 | Pyrazolylpropanamide compounds and uses thereof for treatment of prostate cancer | 20200402 |
WO-2021173721-A1 | Selective androgen receptor degrader (sard) ligands and methods of use thereof | 20200225 |
CN-104016920-A | Co-production method of fluorine-containing methylpyrazole compounds | 20140616 |
AU-2014212193-A1 | Flap modulators | 20130204 |
EP-2112213-A2 | Organic electroluminescence device, novel platinum complex compound and novel compound capable of being a ligand thereof | 20080422 |
Complexity: | 191 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 161.02008156 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 161.02008156 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 52.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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