(2-methylpyrazol-3-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol

C12H11F3N2OS — CID 63963695

IUPAC(2-methylpyrazol-3-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
SMILESCn1nccc1C(O)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C12H11F3N2OS/c1-17-10(6-7-16-17)11(18)8-2-4-9(5-3-8)19-12(13,14)15/h2-7,11,18H,1H3
InChIKeyUXLJCXBNMHYSEV-UHFFFAOYSA-N
MW288.29 g/mol
LogP3.11
Rot. Bonds3

About (2-methylpyrazol-3-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol

(2-methylpyrazol-3-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol (PubChem CID 63963695) has the molecular formula C12H11F3N2OS and a molecular weight of 288.29 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
PubChem CID63963695
Molecular FormulaC12H11F3N2OS
Molecular Weight288.29 g/mol
Exact Mass288.05
IUPAC Name(2-methylpyrazol-3-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
SMILESCn1nccc1C(O)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C12H11F3N2OS/c1-17-10(6-7-16-17)11(18)8-2-4-9(5-3-8)19-12(13,14)15/h2-7,11,18H,1H3
InChIKeyUXLJCXBNMHYSEV-UHFFFAOYSA-N
XLogP3.11
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol?
The IUPAC name of (2-methylpyrazol-3-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol (CID 63963695) is (2-methylpyrazol-3-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol.
What is the SMILES notation for (2-methylpyrazol-3-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol?
The canonical SMILES for (2-methylpyrazol-3-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol is Cn1nccc1C(O)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of (2-methylpyrazol-3-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol?
The InChIKey is UXLJCXBNMHYSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2OS/c1-17-10(6-7-16-17)11(18)8-2-4-9(5-3-8)19-12(13,14)15/h2-7,11,18H,1H3.
What are the key properties of (2-methylpyrazol-3-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol?
(2-methylpyrazol-3-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol has a molecular weight of 288.29 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol is sourced from PubChem (CID 63963695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).