[1-(2,4-difluorophenyl)-3-(4-methylsulfanylphenyl)pyrazol-4-yl]methanol

C17H14F2N2OS — CID 3840524

IUPAC[1-(2,4-difluorophenyl)-3-(4-methylsulfanylphenyl)pyrazol-4-yl]methanol
SMILESCSc1ccc(-c2nn(-c3ccc(F)cc3F)cc2CO)cc1
InChIInChI=1S/C17H14F2N2OS/c1-23-14-5-2-11(3-6-14)17-12(10-22)9-21(20-17)16-7-4-13(18)8-15(16)19/h2-9,22H,10H2,1H3
InChIKeyNUNVWIZKTBLPEM-UHFFFAOYSA-N
MW332.38 g/mol
LogP4.03
Rot. Bonds4

About [1-(2,4-difluorophenyl)-3-(4-methylsulfanylphenyl)pyrazol-4-yl]methanol

[1-(2,4-difluorophenyl)-3-(4-methylsulfanylphenyl)pyrazol-4-yl]methanol (PubChem CID 3840524) has the molecular formula C17H14F2N2OS and a molecular weight of 332.38 g/mol. Its IUPAC name is [1-(2,4-difluorophenyl)-3-(4-methylsulfanylphenyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(2,4-difluorophenyl)-3-(4-methylsulfanylphenyl)pyrazol-4-yl]methanol
PubChem CID3840524
Molecular FormulaC17H14F2N2OS
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name[1-(2,4-difluorophenyl)-3-(4-methylsulfanylphenyl)pyrazol-4-yl]methanol
SMILESCSc1ccc(-c2nn(-c3ccc(F)cc3F)cc2CO)cc1
InChIInChI=1S/C17H14F2N2OS/c1-23-14-5-2-11(3-6-14)17-12(10-22)9-21(20-17)16-7-4-13(18)8-15(16)19/h2-9,22H,10H2,1H3
InChIKeyNUNVWIZKTBLPEM-UHFFFAOYSA-N
XLogP4.03
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2,4-difluorophenyl)-3-(4-methylsulfanylphenyl)pyrazol-4-yl]methanol?
The IUPAC name of [1-(2,4-difluorophenyl)-3-(4-methylsulfanylphenyl)pyrazol-4-yl]methanol (CID 3840524) is [1-(2,4-difluorophenyl)-3-(4-methylsulfanylphenyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [1-(2,4-difluorophenyl)-3-(4-methylsulfanylphenyl)pyrazol-4-yl]methanol?
The canonical SMILES for [1-(2,4-difluorophenyl)-3-(4-methylsulfanylphenyl)pyrazol-4-yl]methanol is CSc1ccc(-c2nn(-c3ccc(F)cc3F)cc2CO)cc1.
What is the InChIKey of [1-(2,4-difluorophenyl)-3-(4-methylsulfanylphenyl)pyrazol-4-yl]methanol?
The InChIKey is NUNVWIZKTBLPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2OS/c1-23-14-5-2-11(3-6-14)17-12(10-22)9-21(20-17)16-7-4-13(18)8-15(16)19/h2-9,22H,10H2,1H3.
What are the key properties of [1-(2,4-difluorophenyl)-3-(4-methylsulfanylphenyl)pyrazol-4-yl]methanol?
[1-(2,4-difluorophenyl)-3-(4-methylsulfanylphenyl)pyrazol-4-yl]methanol has a molecular weight of 332.38 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-difluorophenyl)-3-(4-methylsulfanylphenyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 3840524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).