3-methyl-1-phenyl-4-(trifluoromethylsulfinyl)pyrazol-5-amine

C11H10F3N3OS — CID 10149447

IUPAC3-methyl-1-phenyl-4-(trifluoromethylsulfinyl)pyrazol-5-amine
SMILESCc1nn(-c2ccccc2)c(N)c1S(=O)C(F)(F)F
InChIInChI=1S/C11H10F3N3OS/c1-7-9(19(18)11(12,13)14)10(15)17(16-7)8-5-3-2-4-6-8/h2-6H,15H2,1H3
InChIKeyKTVJKTWXHMJPGX-UHFFFAOYSA-N
MW289.28 g/mol
LogP2.39
Rot. Bonds2

About 3-methyl-1-phenyl-4-(trifluoromethylsulfinyl)pyrazol-5-amine

3-methyl-1-phenyl-4-(trifluoromethylsulfinyl)pyrazol-5-amine (PubChem CID 10149447) has the molecular formula C11H10F3N3OS and a molecular weight of 289.28 g/mol. Its IUPAC name is 3-methyl-1-phenyl-4-(trifluoromethylsulfinyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-methyl-1-phenyl-4-(trifluoromethylsulfinyl)pyrazol-5-amine
PubChem CID10149447
Molecular FormulaC11H10F3N3OS
Molecular Weight289.28 g/mol
Exact Mass289.05
IUPAC Name3-methyl-1-phenyl-4-(trifluoromethylsulfinyl)pyrazol-5-amine
SMILESCc1nn(-c2ccccc2)c(N)c1S(=O)C(F)(F)F
InChIInChI=1S/C11H10F3N3OS/c1-7-9(19(18)11(12,13)14)10(15)17(16-7)8-5-3-2-4-6-8/h2-6H,15H2,1H3
InChIKeyKTVJKTWXHMJPGX-UHFFFAOYSA-N
XLogP2.39
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-4-(trifluoromethylsulfinyl)pyrazol-5-amine?
The IUPAC name of 3-methyl-1-phenyl-4-(trifluoromethylsulfinyl)pyrazol-5-amine (CID 10149447) is 3-methyl-1-phenyl-4-(trifluoromethylsulfinyl)pyrazol-5-amine.
What is the SMILES notation for 3-methyl-1-phenyl-4-(trifluoromethylsulfinyl)pyrazol-5-amine?
The canonical SMILES for 3-methyl-1-phenyl-4-(trifluoromethylsulfinyl)pyrazol-5-amine is Cc1nn(-c2ccccc2)c(N)c1S(=O)C(F)(F)F.
What is the InChIKey of 3-methyl-1-phenyl-4-(trifluoromethylsulfinyl)pyrazol-5-amine?
The InChIKey is KTVJKTWXHMJPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3OS/c1-7-9(19(18)11(12,13)14)10(15)17(16-7)8-5-3-2-4-6-8/h2-6H,15H2,1H3.
What are the key properties of 3-methyl-1-phenyl-4-(trifluoromethylsulfinyl)pyrazol-5-amine?
3-methyl-1-phenyl-4-(trifluoromethylsulfinyl)pyrazol-5-amine has a molecular weight of 289.28 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-4-(trifluoromethylsulfinyl)pyrazol-5-amine is sourced from PubChem (CID 10149447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).