3-Hydroxy-1-methyl-5-(trifluoromethyl)pyrazole - CAS 119022-51-4
Catalog: |
BB004372 |
Product Name: |
3-Hydroxy-1-methyl-5-(trifluoromethyl)pyrazole |
CAS: |
119022-51-4 |
Synonyms: |
2-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one |
IUPAC Name: | 2-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one |
Description: | 3-Hydroxy-1-methyl-5-(trifluoromethyl)pyrazole (CAS# 119022-51-4) is a useful research chemical. |
Molecular Weight: | 166.10 |
Molecular Formula: | C5H5F3N2O |
Canonical SMILES: | CN1C(=CC(=O)N1)C(F)(F)F |
InChI: | InChI=1S/C5H5F3N2O/c1-10-3(5(6,7)8)2-4(11)9-10/h2H,1H3,(H,9,11) |
InChI Key: | QEHXHKNBIGEWIH-UHFFFAOYSA-N |
Boiling Point: | 224.4 °C at 760 mmHg |
Melting Point: | 114-115 °C |
Purity: | 95 % |
Density: | 1.423 g/cm3 |
Appearance: | White to yellow or pink crystalline powder |
LogP: | 1.14450 |
GHS Hazard Statement: | H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
TW-202003525-A | New heterocyclic compounds | 20180322 |
CN-111936503-A | Oxazin monoacylglycerol lipase (MAGL) inhibitors | 20180322 |
BR-112020014992-A2 | OXAZINE INHIBITORS MONOACYLGLYCEROL LIPASE (MAGL) | 20180322 |
KR-20200136425-A | Oxazine monoacylglycerol lipase (MAGL) inhibitor | 20180322 |
US-2021107920-A1 | Oxazine monoacylglycerol lipase (magl) inhibitors | 20180322 |
Complexity: | 220 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.03539727 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.03539727 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 32.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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