[1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]sulfanylpyrazol-4-yl]methanol

C18H15F3N2OS — CID 1476565

IUPAC[1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]sulfanylpyrazol-4-yl]methanol
SMILESCn1nc(-c2ccccc2)c(CO)c1Sc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H15F3N2OS/c1-23-17(25-14-9-5-8-13(10-14)18(19,20)21)15(11-24)16(22-23)12-6-3-2-4-7-12/h2-10,24H,11H2,1H3
InChIKeyAWHHXKDKURXYOF-UHFFFAOYSA-N
MW364.39 g/mol
LogP4.75
Rot. Bonds4

About [1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]sulfanylpyrazol-4-yl]methanol

[1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]sulfanylpyrazol-4-yl]methanol (PubChem CID 1476565) has the molecular formula C18H15F3N2OS and a molecular weight of 364.39 g/mol. Its IUPAC name is [1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]sulfanylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]sulfanylpyrazol-4-yl]methanol
PubChem CID1476565
Molecular FormulaC18H15F3N2OS
Molecular Weight364.39 g/mol
Exact Mass364.09
IUPAC Name[1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]sulfanylpyrazol-4-yl]methanol
SMILESCn1nc(-c2ccccc2)c(CO)c1Sc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H15F3N2OS/c1-23-17(25-14-9-5-8-13(10-14)18(19,20)21)15(11-24)16(22-23)12-6-3-2-4-7-12/h2-10,24H,11H2,1H3
InChIKeyAWHHXKDKURXYOF-UHFFFAOYSA-N
XLogP4.75
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]sulfanylpyrazol-4-yl]methanol?
The IUPAC name of [1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]sulfanylpyrazol-4-yl]methanol (CID 1476565) is [1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]sulfanylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]sulfanylpyrazol-4-yl]methanol?
The canonical SMILES for [1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]sulfanylpyrazol-4-yl]methanol is Cn1nc(-c2ccccc2)c(CO)c1Sc1cccc(C(F)(F)F)c1.
What is the InChIKey of [1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]sulfanylpyrazol-4-yl]methanol?
The InChIKey is AWHHXKDKURXYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2OS/c1-23-17(25-14-9-5-8-13(10-14)18(19,20)21)15(11-24)16(22-23)12-6-3-2-4-7-12/h2-10,24H,11H2,1H3.
What are the key properties of [1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]sulfanylpyrazol-4-yl]methanol?
[1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]sulfanylpyrazol-4-yl]methanol has a molecular weight of 364.39 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]sulfanylpyrazol-4-yl]methanol is sourced from PubChem (CID 1476565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).