4-(Ethylsulfonyl)pyrazole-3-carboxamide Ethiprole - CAS 855999-82-5
Catalog: |
BB066030 |
Product Name: |
4-(Ethylsulfonyl)pyrazole-3-carboxamide Ethiprole |
CAS: |
855999-82-5 |
Synonyms: |
5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(ethanesulfonyl)-1H-pyrazole-3-carboxamide |
IUPAC Name: | 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-ethylsulfonylpyrazole-3-carboxamide |
Molecular Weight: | 431.22 |
Molecular Formula: | C13H11Cl2F3N4O3S |
Canonical SMILES: | CCS(=O)(=O)C1=C(N(N=C1C(=O)N)C2=C(C=C(C=C2Cl)C(F)(F)F)Cl)N |
InChI: | InChI=1S/C13H11Cl2F3N4O3S/c1-2-26(24,25)10-8(12(20)23)21-22(11(10)19)9-6(14)3-5(4-7(9)15)13(16,17)18/h3-4H,2,19H2,1H3,(H2,20,23) |
InChI Key: | GGOGZBBMYZGANS-UHFFFAOYSA-N |
Melting Point: | 224 °C |
Complexity: | 634 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 429.9881013 |
Formal Charge: | 0 |
Heavy Atom Count: | 26 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 429.9881013 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 129Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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