[4-propan-2-yl-1-[4-(trifluoromethylsulfanyl)phenyl]pyrazol-5-yl]methanol

C14H15F3N2OS — CID 143590079

IUPAC[4-propan-2-yl-1-[4-(trifluoromethylsulfanyl)phenyl]pyrazol-5-yl]methanol
SMILESCC(C)c1cnn(-c2ccc(SC(F)(F)F)cc2)c1CO
InChIInChI=1S/C14H15F3N2OS/c1-9(2)12-7-18-19(13(12)8-20)10-3-5-11(6-4-10)21-14(15,16)17/h3-7,9,20H,8H2,1-2H3
InChIKeyLWVZDAWWTMMCFR-UHFFFAOYSA-N
MW316.35 g/mol
LogP4.10
Rot. Bonds4

About [4-propan-2-yl-1-[4-(trifluoromethylsulfanyl)phenyl]pyrazol-5-yl]methanol

[4-propan-2-yl-1-[4-(trifluoromethylsulfanyl)phenyl]pyrazol-5-yl]methanol (PubChem CID 143590079) has the molecular formula C14H15F3N2OS and a molecular weight of 316.35 g/mol. Its IUPAC name is [4-propan-2-yl-1-[4-(trifluoromethylsulfanyl)phenyl]pyrazol-5-yl]methanol.

Molecular Properties

Compound Name[4-propan-2-yl-1-[4-(trifluoromethylsulfanyl)phenyl]pyrazol-5-yl]methanol
PubChem CID143590079
Molecular FormulaC14H15F3N2OS
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC Name[4-propan-2-yl-1-[4-(trifluoromethylsulfanyl)phenyl]pyrazol-5-yl]methanol
SMILESCC(C)c1cnn(-c2ccc(SC(F)(F)F)cc2)c1CO
InChIInChI=1S/C14H15F3N2OS/c1-9(2)12-7-18-19(13(12)8-20)10-3-5-11(6-4-10)21-14(15,16)17/h3-7,9,20H,8H2,1-2H3
InChIKeyLWVZDAWWTMMCFR-UHFFFAOYSA-N
XLogP4.10
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

{1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl}-methanol
CID 44819037
[1-(2,6-Difluorophenyl)-4-propan-2-ylpyrazol-5-yl]methanol
CID 57443262
[4-Propan-2-yl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol
CID 67528564
[2-[2-Fluoro-6-(trifluoromethyl)phenyl]-4-propan-2-ylpyrazol-3-yl]methanol
CID 67528724
[2-[3,5-Difluoro-2-(trifluoromethyl)phenyl]-4-propan-2-ylpyrazol-3-yl]methanol
CID 67528798
2-Ethyl-1-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]butan-1-ol
CID 68593445
1-[1-(4-Fluorophenyl)-1H-pyrazol-5-yl]-2-methylpropan-1-ol
CID 68594222
[4-Propan-2-yl-1-[2-(trifluoromethylsulfanyl)phenyl]pyrazol-5-yl]methanol
CID 68884673
[4-Methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol
CID 121379911
[4-Cyclopropyl-1-(2,6-difluorophenyl)pyrazol-5-yl]methanol
CID 138485896
[1-(4-Fluorophenyl)-4-propan-2-ylpyrazol-5-yl]methanol
CID 152389587
[1-(4-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]methanol
CID 165733633

Frequently Asked Questions

What is the IUPAC name of [4-propan-2-yl-1-[4-(trifluoromethylsulfanyl)phenyl]pyrazol-5-yl]methanol?
The IUPAC name of [4-propan-2-yl-1-[4-(trifluoromethylsulfanyl)phenyl]pyrazol-5-yl]methanol (CID 143590079) is [4-propan-2-yl-1-[4-(trifluoromethylsulfanyl)phenyl]pyrazol-5-yl]methanol.
What is the SMILES notation for [4-propan-2-yl-1-[4-(trifluoromethylsulfanyl)phenyl]pyrazol-5-yl]methanol?
The canonical SMILES for [4-propan-2-yl-1-[4-(trifluoromethylsulfanyl)phenyl]pyrazol-5-yl]methanol is CC(C)c1cnn(-c2ccc(SC(F)(F)F)cc2)c1CO.
What is the InChIKey of [4-propan-2-yl-1-[4-(trifluoromethylsulfanyl)phenyl]pyrazol-5-yl]methanol?
The InChIKey is LWVZDAWWTMMCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2OS/c1-9(2)12-7-18-19(13(12)8-20)10-3-5-11(6-4-10)21-14(15,16)17/h3-7,9,20H,8H2,1-2H3.
What are the key properties of [4-propan-2-yl-1-[4-(trifluoromethylsulfanyl)phenyl]pyrazol-5-yl]methanol?
[4-propan-2-yl-1-[4-(trifluoromethylsulfanyl)phenyl]pyrazol-5-yl]methanol has a molecular weight of 316.35 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-propan-2-yl-1-[4-(trifluoromethylsulfanyl)phenyl]pyrazol-5-yl]methanol is sourced from PubChem (CID 143590079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).