4-Amino-1-(2,2-difluoroethyl)-1H-pyrazole-3-carboxamide hydrochloride - CAS 1855890-05-9
Catalog: |
BB050666 |
Product Name: |
4-Amino-1-(2,2-difluoroethyl)-1H-pyrazole-3-carboxamide hydrochloride |
CAS: |
1855890-05-9 |
Synonyms: |
1H-Pyrazole-3-carboxamide, 4-amino-1-(2,2-difluoroethyl)-, hydrochloride (1:1) |
Related CAS: | 1699683-25-4 (free base)
|
IUPAC Name: | 4-amino-1-(2,2-difluoroethyl)pyrazole-3-carboxamide;hydrochloride |
Molecular Weight: | 226.61 |
Molecular Formula: | C6H9ClF2N4O |
Canonical SMILES: | C1=C(C(=NN1CC(F)F)C(=O)N)N.Cl |
InChI: | InChI=1S/C6H8F2N4O.ClH/c7-4(8)2-12-1-3(9)5(11-12)6(10)13;/h1,4H,2,9H2,(H2,10,13);1H |
InChI Key: | BGIVLQJOTCEUQP-UHFFFAOYSA-N |
Purity: | ≥95% |
Complexity: | 201 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.0432949 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.0432949 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 86.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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