[1-(3-chlorophenyl)-3-(4-methylsulfanylphenyl)pyrazol-4-yl]methanol

C17H15ClN2OS — CID 3250429

IUPAC[1-(3-chlorophenyl)-3-(4-methylsulfanylphenyl)pyrazol-4-yl]methanol
SMILESCSc1ccc(-c2nn(-c3cccc(Cl)c3)cc2CO)cc1
InChIInChI=1S/C17H15ClN2OS/c1-22-16-7-5-12(6-8-16)17-13(11-21)10-20(19-17)15-4-2-3-14(18)9-15/h2-10,21H,11H2,1H3
InChIKeyKBTNUJBRJNARDG-UHFFFAOYSA-N
MW330.84 g/mol
LogP4.41
Rot. Bonds4

About [1-(3-chlorophenyl)-3-(4-methylsulfanylphenyl)pyrazol-4-yl]methanol

[1-(3-chlorophenyl)-3-(4-methylsulfanylphenyl)pyrazol-4-yl]methanol (PubChem CID 3250429) has the molecular formula C17H15ClN2OS and a molecular weight of 330.84 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-3-(4-methylsulfanylphenyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(3-chlorophenyl)-3-(4-methylsulfanylphenyl)pyrazol-4-yl]methanol
PubChem CID3250429
Molecular FormulaC17H15ClN2OS
Molecular Weight330.84 g/mol
Exact Mass330.06
IUPAC Name[1-(3-chlorophenyl)-3-(4-methylsulfanylphenyl)pyrazol-4-yl]methanol
SMILESCSc1ccc(-c2nn(-c3cccc(Cl)c3)cc2CO)cc1
InChIInChI=1S/C17H15ClN2OS/c1-22-16-7-5-12(6-8-16)17-13(11-21)10-20(19-17)15-4-2-3-14(18)9-15/h2-10,21H,11H2,1H3
InChIKeyKBTNUJBRJNARDG-UHFFFAOYSA-N
XLogP4.41
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)-3-(4-methylsulfanylphenyl)pyrazol-4-yl]methanol?
The IUPAC name of [1-(3-chlorophenyl)-3-(4-methylsulfanylphenyl)pyrazol-4-yl]methanol (CID 3250429) is [1-(3-chlorophenyl)-3-(4-methylsulfanylphenyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [1-(3-chlorophenyl)-3-(4-methylsulfanylphenyl)pyrazol-4-yl]methanol?
The canonical SMILES for [1-(3-chlorophenyl)-3-(4-methylsulfanylphenyl)pyrazol-4-yl]methanol is CSc1ccc(-c2nn(-c3cccc(Cl)c3)cc2CO)cc1.
What is the InChIKey of [1-(3-chlorophenyl)-3-(4-methylsulfanylphenyl)pyrazol-4-yl]methanol?
The InChIKey is KBTNUJBRJNARDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2OS/c1-22-16-7-5-12(6-8-16)17-13(11-21)10-20(19-17)15-4-2-3-14(18)9-15/h2-10,21H,11H2,1H3.
What are the key properties of [1-(3-chlorophenyl)-3-(4-methylsulfanylphenyl)pyrazol-4-yl]methanol?
[1-(3-chlorophenyl)-3-(4-methylsulfanylphenyl)pyrazol-4-yl]methanol has a molecular weight of 330.84 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)-3-(4-methylsulfanylphenyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 3250429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).