1-Isopropyl-3-(trifluoromethyl)pyrazole-5-boronic acid - CAS 1361380-69-9
Catalog: |
BB056338 |
Product Name: |
1-Isopropyl-3-(trifluoromethyl)pyrazole-5-boronic acid |
CAS: |
1361380-69-9 |
Synonyms: |
(1-Isopropyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)boronic acid; 1-ISOPROPYL-3-(TRIFLUOROMETHYL)PYRAZOLE-5-BORONIC ACID; [2-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]boronic acid; [1-Isopropyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]boronic acid |
IUPAC Name: | [2-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]boronic acid |
Description: | 1-Isopropyl-3-(trifluoromethyl)pyrazole-5-boronic acid |
Molecular Weight: | 221.97 |
Molecular Formula: | C7H10BF3N2O2 |
Canonical SMILES: | B(C1=CC(=NN1C(C)C)C(F)(F)F)(O)O |
InChI: | InChI=1S/C7H10BF3N2O2/c1-4(2)13-6(8(14)15)3-5(12-13)7(9,10)11/h3-4,14-15H,1-2H3 |
InChI Key: | BRTYYHMOCKZIPM-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020151589-A1 | Acylamino bridged heterocyclic compound, and composition and application thereof | 20190125 |
TW-202041507-A | Amido bridged heterocyclic compound, and composition and application thereof | 20190125 |
AU-2020210455-A1 | Acylamino bridged heterocyclic compound, and composition and application thereof | 20190125 |
CN-113166116-A | Amido bridged heterocyclic compound, and composition and application thereof | 20190125 |
EP-3901147-A1 | Acylamino bridged heterocyclic compound, and composition and application thereof | 20190125 |
TW-I724753-B | Amido bridged heterocyclic compound, and composition and application thereof | 20190125 |
KR-20210118893-A | Acylamino bridged heterocyclic compounds, and compositions and applications thereof | 20190125 |
EP-3655406-A1 | Substituted pyrrolopyridine-derivatives | 20170718 |
TW-201908314-A | Substituted pyrrolopyridine-derivative | 20170718 |
WO-2019016071-A1 | SUBSTITUTED PYRROLOPYRIDINE DERIVATIVES | 20170718 |
Complexity: | 225 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.0787422 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.0787422 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 58.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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