[3-(4-methylsulfanylphenyl)-1-phenylpyrazol-4-yl]methanol

C17H16N2OS — CID 3300100

IUPAC[3-(4-methylsulfanylphenyl)-1-phenylpyrazol-4-yl]methanol
SMILESCSc1ccc(-c2nn(-c3ccccc3)cc2CO)cc1
InChIInChI=1S/C17H16N2OS/c1-21-16-9-7-13(8-10-16)17-14(12-20)11-19(18-17)15-5-3-2-4-6-15/h2-11,20H,12H2,1H3
InChIKeyAYMFMMQZOFFZDU-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.75
Rot. Bonds4

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

[3-(4-methylsulfanylphenyl)-1-phenylpyrazol-4-yl]methanol (PubChem CID 3300100) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is [3-(4-methylsulfanylphenyl)-1-phenylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(4-methylsulfanylphenyl)-1-phenylpyrazol-4-yl]methanol
PubChem CID3300100
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name[3-(4-methylsulfanylphenyl)-1-phenylpyrazol-4-yl]methanol
SMILESCSc1ccc(-c2nn(-c3ccccc3)cc2CO)cc1
InChIInChI=1S/C17H16N2OS/c1-21-16-9-7-13(8-10-16)17-14(12-20)11-19(18-17)15-5-3-2-4-6-15/h2-11,20H,12H2,1H3
InChIKeyAYMFMMQZOFFZDU-UHFFFAOYSA-N
XLogP3.75
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-methylsulfanylphenyl)-1-phenylpyrazol-4-yl]methanol?
The IUPAC name of [3-(4-methylsulfanylphenyl)-1-phenylpyrazol-4-yl]methanol (CID 3300100) is [3-(4-methylsulfanylphenyl)-1-phenylpyrazol-4-yl]methanol.
What is the SMILES notation for [3-(4-methylsulfanylphenyl)-1-phenylpyrazol-4-yl]methanol?
The canonical SMILES for [3-(4-methylsulfanylphenyl)-1-phenylpyrazol-4-yl]methanol is CSc1ccc(-c2nn(-c3ccccc3)cc2CO)cc1.
What is the InChIKey of [3-(4-methylsulfanylphenyl)-1-phenylpyrazol-4-yl]methanol?
The InChIKey is AYMFMMQZOFFZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-21-16-9-7-13(8-10-16)17-14(12-20)11-19(18-17)15-5-3-2-4-6-15/h2-11,20H,12H2,1H3.
What are the key properties of [3-(4-methylsulfanylphenyl)-1-phenylpyrazol-4-yl]methanol?
[3-(4-methylsulfanylphenyl)-1-phenylpyrazol-4-yl]methanol has a molecular weight of 296.40 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylsulfanylphenyl)-1-phenylpyrazol-4-yl]methanol is sourced from PubChem (CID 3300100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).