[3-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol

C12H14N2OS — CID 63835210

IUPAC[3-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol
SMILESCc1cc(CO)ccc1Sc1cnn(C)c1
InChIInChI=1S/C12H14N2OS/c1-9-5-10(8-15)3-4-12(9)16-11-6-13-14(2)7-11/h3-7,15H,8H2,1-2H3
InChIKeyYAWNSEWLFPOXSE-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.37
Rot. Bonds3

About [3-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol

[3-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol (PubChem CID 63835210) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is [3-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol.

Molecular Properties

Compound Name[3-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol
PubChem CID63835210
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name[3-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol
SMILESCc1cc(CO)ccc1Sc1cnn(C)c1
InChIInChI=1S/C12H14N2OS/c1-9-5-10(8-15)3-4-12(9)16-11-6-13-14(2)7-11/h3-7,15H,8H2,1-2H3
InChIKeyYAWNSEWLFPOXSE-UHFFFAOYSA-N
XLogP2.37
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methyl]cyclopropanamine
CID 55238701
[4-(4-fluorophenyl)sulfanyl-3-methylphenyl]methanol
CID 63813527
[3,5-difluoro-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol
CID 55240251
[4-(2,4-dimethylphenyl)sulfanyl-3-methylphenyl]methanol
CID 63813831
[5-methyl-2-(1-methylpyrazol-4-yl)sulfanylphenyl]methanamine
CID 107931460
[3-methyl-4-(2-methylphenyl)sulfanylphenyl]methanol
CID 63835401
[3-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methanol
CID 65041243
N-[[3-chloro-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methyl]propan-2-amine
CID 81159409
(1S)-1-[5-fluoro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanol
CID 63835113
[5-bromo-2-(1-methylpyrazol-4-yl)sulfanylphenyl]methanamine
CID 114893842
5-chloro-2-(1-methylpyrazol-4-yl)sulfanylaniline
CID 61384655
1-[2-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]propan-2-amine
CID 63818212

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol?
The IUPAC name of [3-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol (CID 63835210) is [3-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol.
What is the SMILES notation for [3-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol?
The canonical SMILES for [3-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol is Cc1cc(CO)ccc1Sc1cnn(C)c1.
What is the InChIKey of [3-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol?
The InChIKey is YAWNSEWLFPOXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-9-5-10(8-15)3-4-12(9)16-11-6-13-14(2)7-11/h3-7,15H,8H2,1-2H3.
What are the key properties of [3-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol?
[3-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol has a molecular weight of 234.32 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol is sourced from PubChem (CID 63835210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).