(3S)-5-methyl-3-(trifluoromethyl)-2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-4H-pyrazol-3-ol

C11H15F3N4O3S — CID 51570298

IUPAC(3S)-5-methyl-3-(trifluoromethyl)-2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-4H-pyrazol-3-ol
SMILESCC1=NN(S(=O)(=O)c2c(C)nn(C)c2C)[C@@](O)(C(F)(F)F)C1
InChIInChI=1S/C11H15F3N4O3S/c1-6-5-10(19,11(12,13)14)18(15-6)22(20,21)9-7(2)16-17(4)8(9)3/h19H,5H2,1-4H3/t10-/m0/s1
InChIKeyQHSUCTGRGVIEKO-JTQLQIEISA-N
MW340.33 g/mol
LogP1.06
Rot. Bonds2

About (3S)-5-methyl-3-(trifluoromethyl)-2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-4H-pyrazol-3-ol

(3S)-5-methyl-3-(trifluoromethyl)-2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-4H-pyrazol-3-ol (PubChem CID 51570298) has the molecular formula C11H15F3N4O3S and a molecular weight of 340.33 g/mol. Its IUPAC name is (3S)-5-methyl-3-(trifluoromethyl)-2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-4H-pyrazol-3-ol.

Molecular Properties

Compound Name(3S)-5-methyl-3-(trifluoromethyl)-2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-4H-pyrazol-3-ol
PubChem CID51570298
Molecular FormulaC11H15F3N4O3S
Molecular Weight340.33 g/mol
Exact Mass340.08
IUPAC Name(3S)-5-methyl-3-(trifluoromethyl)-2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-4H-pyrazol-3-ol
SMILESCC1=NN(S(=O)(=O)c2c(C)nn(C)c2C)[C@@](O)(C(F)(F)F)C1
InChIInChI=1S/C11H15F3N4O3S/c1-6-5-10(19,11(12,13)14)18(15-6)22(20,21)9-7(2)16-17(4)8(9)3/h19H,5H2,1-4H3/t10-/m0/s1
InChIKeyQHSUCTGRGVIEKO-JTQLQIEISA-N
XLogP1.06
TPSA87.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-5-methyl-3-(trifluoromethyl)-2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-4H-pyrazol-3-ol?
The IUPAC name of (3S)-5-methyl-3-(trifluoromethyl)-2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-4H-pyrazol-3-ol (CID 51570298) is (3S)-5-methyl-3-(trifluoromethyl)-2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-4H-pyrazol-3-ol.
What is the SMILES notation for (3S)-5-methyl-3-(trifluoromethyl)-2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-4H-pyrazol-3-ol?
The canonical SMILES for (3S)-5-methyl-3-(trifluoromethyl)-2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-4H-pyrazol-3-ol is CC1=NN(S(=O)(=O)c2c(C)nn(C)c2C)[C@@](O)(C(F)(F)F)C1.
What is the InChIKey of (3S)-5-methyl-3-(trifluoromethyl)-2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-4H-pyrazol-3-ol?
The InChIKey is QHSUCTGRGVIEKO-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15F3N4O3S/c1-6-5-10(19,11(12,13)14)18(15-6)22(20,21)9-7(2)16-17(4)8(9)3/h19H,5H2,1-4H3/t10-/m0/s1.
What are the key properties of (3S)-5-methyl-3-(trifluoromethyl)-2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-4H-pyrazol-3-ol?
(3S)-5-methyl-3-(trifluoromethyl)-2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-4H-pyrazol-3-ol has a molecular weight of 340.33 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-methyl-3-(trifluoromethyl)-2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-4H-pyrazol-3-ol is sourced from PubChem (CID 51570298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).