(1E)-N'-Hydroxy-2-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanimidamide - CAS 1006352-70-0
Catalog: |
BB047424 |
Product Name: |
(1E)-N'-Hydroxy-2-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanimidamide |
CAS: |
1006352-70-0 |
Synonyms: |
1-(hydroxyimino)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazolyl]propylamine |
IUPAC Name: | N'-hydroxy-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanimidamide |
Description: | (1E)-N'-Hydroxy-2-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanimidamide (CAS# 1006352-70-0 ) is a useful research chemical. |
Molecular Weight: | 250.22 |
Molecular Formula: | C9H13F3N4O |
Canonical SMILES: | CC1=CC(=NN1CC(C)C(=NO)N)C(F)(F)F |
InChI: | InChI=1S/C9H13F3N4O/c1-5(8(13)15-17)4-16-6(2)3-7(14-16)9(10,11)12/h3,5,17H,4H2,1-2H3,(H2,13,15) |
InChI Key: | WJSFIUBTHPIDCP-UHFFFAOYSA-N |
Complexity: | 295 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 250.10414554 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.10414554 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 76.4 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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