1-Isopropyl-3-(trifluoromethyl)pyrazole - CAS 915377-59-2
Catalog: |
BB056336 |
Product Name: |
1-Isopropyl-3-(trifluoromethyl)pyrazole |
CAS: |
915377-59-2 |
Synonyms: |
1-Isopropyl-3-(trifluoromethyl)pyrazole; 1-Isopropyl-3-(trifluoromethyl)-1H-pyrazole; 1-propan-2-yl-3-(trifluoromethyl)pyrazole; 1-(propan-2-yl)-3-(trifluoromethyl)-1H-pyrazole |
IUPAC Name: | 1-propan-2-yl-3-(trifluoromethyl)pyrazole |
Description: | 1-Isopropyl-3-(trifluoromethyl)pyrazole |
Molecular Weight: | 178.15 |
Molecular Formula: | C7H9F3N2 |
Canonical SMILES: | CC(C)N1C=CC(=N1)C(F)(F)F |
InChI: | InChI=1S/C7H9F3N2/c1-5(2)12-4-3-6(11-12)7(8,9)10/h3-5H,1-2H3 |
InChI Key: | GCTBVXNBHDUGPB-UHFFFAOYSA-N |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.07178278 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.07178278 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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