5-Amino-3-(2-fluorophenyl)-1-methylpyrazole - CAS 1012879-56-9
Catalog: |
BB074805 |
Product Name: |
5-Amino-3-(2-fluorophenyl)-1-methylpyrazole |
CAS: |
1012879-56-9 |
Synonyms: |
5-Amino-3-(2-fluorophenyl)-1-methylpyrazole; 3-(2-fluorophenyl)-1-methyl-1H-pyrazol-5-amine; 5-(2-fluorophenyl)-2-methylpyrazol-3-amine |
IUPAC Name: | 5-(2-fluorophenyl)-2-methylpyrazol-3-amine |
Molecular Weight: | 191.2 |
Molecular Formula: | C10H10FN3 |
Canonical SMILES: | CN1C(=CC(=N1)C2=CC=CC=C2F)N |
InChI: | InChI=1S/C10H10FN3/c1-14-10(12)6-9(13-14)7-4-2-3-5-8(7)11/h2-6H,12H2,1H3 |
InChI Key: | LCPUQZNJLLPNCJ-UHFFFAOYSA-N |
References: | Brandhuber, B., et al. PCT Int. Appl. (2014), WO 2014078322 A1 20140522. |
Complexity: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.08587549 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.08587549 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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