(1-methylpyrazol-4-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol

C12H11F3N2OS — CID 63895307

IUPAC(1-methylpyrazol-4-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
SMILESCn1cc(C(O)c2ccc(SC(F)(F)F)cc2)cn1
InChIInChI=1S/C12H11F3N2OS/c1-17-7-9(6-16-17)11(18)8-2-4-10(5-3-8)19-12(13,14)15/h2-7,11,18H,1H3
InChIKeyTYDRQYTYTMXWOB-UHFFFAOYSA-N
MW288.29 g/mol
LogP3.11
Rot. Bonds3

About (1-methylpyrazol-4-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol

(1-methylpyrazol-4-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol (PubChem CID 63895307) has the molecular formula C12H11F3N2OS and a molecular weight of 288.29 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
PubChem CID63895307
Molecular FormulaC12H11F3N2OS
Molecular Weight288.29 g/mol
Exact Mass288.05
IUPAC Name(1-methylpyrazol-4-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
SMILESCn1cc(C(O)c2ccc(SC(F)(F)F)cc2)cn1
InChIInChI=1S/C12H11F3N2OS/c1-17-7-9(6-16-17)11(18)8-2-4-10(5-3-8)19-12(13,14)15/h2-7,11,18H,1H3
InChIKeyTYDRQYTYTMXWOB-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

Analyze (1-methylpyrazol-4-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol?
The IUPAC name of (1-methylpyrazol-4-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol (CID 63895307) is (1-methylpyrazol-4-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol.
What is the SMILES notation for (1-methylpyrazol-4-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol?
The canonical SMILES for (1-methylpyrazol-4-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol is Cn1cc(C(O)c2ccc(SC(F)(F)F)cc2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol?
The InChIKey is TYDRQYTYTMXWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2OS/c1-17-7-9(6-16-17)11(18)8-2-4-10(5-3-8)19-12(13,14)15/h2-7,11,18H,1H3.
What are the key properties of (1-methylpyrazol-4-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol?
(1-methylpyrazol-4-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 (1-methylpyrazol-4-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol is sourced from PubChem (CID 63895307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).