Methyl 3-amino-1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxylate - CAS 1798485-37-6
Catalog: |
BB052412 |
Product Name: |
Methyl 3-amino-1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxylate |
CAS: |
1798485-37-6 |
Synonyms: |
Methyl3-amino-1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxylate |
IUPAC Name: | methyl 3-amino-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylate |
Molecular Weight: | 223.15 |
Molecular Formula: | C7H8F3N3O2 |
Canonical SMILES: | COC(=O)C1=CN(N=C1N)CC(F)(F)F |
InChI: | InChI=1S/C7H8F3N3O2/c1-15-6(14)4-2-13(12-5(4)11)3-7(8,9)10/h2H,3H2,1H3,(H2,11,12) |
InChI Key: | FWUJBTOPMVPHDW-UHFFFAOYSA-N |
Complexity: | 246 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.05686099 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.05686099 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 70.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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