3-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol

C14H15F3N2OS — CID 103006138

IUPAC3-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol
SMILESCn1nccc1CCC(O)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C14H15F3N2OS/c1-19-11(8-9-18-19)4-7-13(20)10-2-5-12(6-3-10)21-14(15,16)17/h2-3,5-6,8-9,13,20H,4,7H2,1H3
InChIKeyWROZRDXAFFPQHP-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.70
Rot. Bonds5

About 3-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol

3-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol (PubChem CID 103006138) has the molecular formula C14H15F3N2OS and a molecular weight of 316.35 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol
PubChem CID103006138
Molecular FormulaC14H15F3N2OS
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC Name3-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol
SMILESCn1nccc1CCC(O)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C14H15F3N2OS/c1-19-11(8-9-18-19)4-7-13(20)10-2-5-12(6-3-10)21-14(15,16)17/h2-3,5-6,8-9,13,20H,4,7H2,1H3
InChIKeyWROZRDXAFFPQHP-UHFFFAOYSA-N
XLogP3.70
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

{2-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}methanol
CID 24229659
(3-(4-(Methylthio)phenyl)-1-phenyl-1H-pyrazol-4-YL)methanol
CID 3300100
(1-Methyl-1H-pyrazol-5-yl)(phenyl)methanol
CID 10943232
[1-Methyl-4-(trifluoromethyl)pyrazol-5-yl]-phenylmethanol
CID 102385474
alpha-[[Methyl[[5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-thienyl]methyl]amino]methyl]-benzenemethanol
CID 10000765
Cyclohexyl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol
CID 58955827
Cyclohexyl-[5-[1,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol
CID 58955830
(2-Fluorophenyl)(1-methyl-1H-pyrazol-5-yl)methanol
CID 63961772
[4-Fluoro-2-(trifluoromethyl)phenyl]-(2-methylpyrazol-3-yl)methanol
CID 66657432
2,2,2-Trifluoro-1-[2-(3-methylpyrazol-1-yl)phenyl]ethanol
CID 66743060
(1R)-2,2,2-trifluoro-1-[2-(3-methylpyrazol-1-yl)phenyl]ethanol
CID 66743061
[4-Propan-2-yl-1-[2-(trifluoromethylsulfanyl)phenyl]pyrazol-5-yl]methanol
CID 68884673

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol?
The IUPAC name of 3-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol (CID 103006138) is 3-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol?
The canonical SMILES for 3-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol is Cn1nccc1CCC(O)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of 3-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol?
The InChIKey is WROZRDXAFFPQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2OS/c1-19-11(8-9-18-19)4-7-13(20)10-2-5-12(6-3-10)21-14(15,16)17/h2-3,5-6,8-9,13,20H,4,7H2,1H3.
What are the key properties of 3-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol?
3-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol has a molecular weight of 316.35 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol is sourced from PubChem (CID 103006138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).