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

C18H18N2OS — CID 3746575

IUPAC[1-(4-methylphenyl)-3-(4-methylsulfanylphenyl)pyrazol-4-yl]methanol
SMILESCSc1ccc(-c2nn(-c3ccc(C)cc3)cc2CO)cc1
InChIInChI=1S/C18H18N2OS/c1-13-3-7-16(8-4-13)20-11-15(12-21)18(19-20)14-5-9-17(22-2)10-6-14/h3-11,21H,12H2,1-2H3
InChIKeyDKPFBFMPFSENPA-UHFFFAOYSA-N
MW310.42 g/mol
LogP4.06
Rot. Bonds4

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

[1-(4-methylphenyl)-3-(4-methylsulfanylphenyl)pyrazol-4-yl]methanol (PubChem CID 3746575) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is [1-(4-methylphenyl)-3-(4-methylsulfanylphenyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-methylphenyl)-3-(4-methylsulfanylphenyl)pyrazol-4-yl]methanol
PubChem CID3746575
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC Name[1-(4-methylphenyl)-3-(4-methylsulfanylphenyl)pyrazol-4-yl]methanol
SMILESCSc1ccc(-c2nn(-c3ccc(C)cc3)cc2CO)cc1
InChIInChI=1S/C18H18N2OS/c1-13-3-7-16(8-4-13)20-11-15(12-21)18(19-20)14-5-9-17(22-2)10-6-14/h3-11,21H,12H2,1-2H3
InChIKeyDKPFBFMPFSENPA-UHFFFAOYSA-N
XLogP4.06
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)-3-(4-methylsulfanylphenyl)pyrazol-4-yl]methanol?
The IUPAC name of [1-(4-methylphenyl)-3-(4-methylsulfanylphenyl)pyrazol-4-yl]methanol (CID 3746575) is [1-(4-methylphenyl)-3-(4-methylsulfanylphenyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [1-(4-methylphenyl)-3-(4-methylsulfanylphenyl)pyrazol-4-yl]methanol?
The canonical SMILES for [1-(4-methylphenyl)-3-(4-methylsulfanylphenyl)pyrazol-4-yl]methanol is CSc1ccc(-c2nn(-c3ccc(C)cc3)cc2CO)cc1.
What is the InChIKey of [1-(4-methylphenyl)-3-(4-methylsulfanylphenyl)pyrazol-4-yl]methanol?
The InChIKey is DKPFBFMPFSENPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS/c1-13-3-7-16(8-4-13)20-11-15(12-21)18(19-20)14-5-9-17(22-2)10-6-14/h3-11,21H,12H2,1-2H3.
What are the key properties of [1-(4-methylphenyl)-3-(4-methylsulfanylphenyl)pyrazol-4-yl]methanol?
[1-(4-methylphenyl)-3-(4-methylsulfanylphenyl)pyrazol-4-yl]methanol has a molecular weight of 310.42 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)-3-(4-methylsulfanylphenyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 3746575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).