3-(2-methylpyrazol-3-yl)-1-(4-methylsulfonylphenyl)propan-1-ol

C14H18N2O3S — CID 103028007

IUPAC3-(2-methylpyrazol-3-yl)-1-(4-methylsulfonylphenyl)propan-1-ol
SMILESCn1nccc1CCC(O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H18N2O3S/c1-16-12(9-10-15-16)5-8-14(17)11-3-6-13(7-4-11)20(2,18)19/h3-4,6-7,9-10,14,17H,5,8H2,1-2H3
InChIKeyOONGTBFLRBPFLI-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.49
Rot. Bonds5

About 3-(2-methylpyrazol-3-yl)-1-(4-methylsulfonylphenyl)propan-1-ol

3-(2-methylpyrazol-3-yl)-1-(4-methylsulfonylphenyl)propan-1-ol (PubChem CID 103028007) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)-1-(4-methylsulfonylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(2-methylpyrazol-3-yl)-1-(4-methylsulfonylphenyl)propan-1-ol
PubChem CID103028007
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name3-(2-methylpyrazol-3-yl)-1-(4-methylsulfonylphenyl)propan-1-ol
SMILESCn1nccc1CCC(O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H18N2O3S/c1-16-12(9-10-15-16)5-8-14(17)11-3-6-13(7-4-11)20(2,18)19/h3-4,6-7,9-10,14,17H,5,8H2,1-2H3
InChIKeyOONGTBFLRBPFLI-UHFFFAOYSA-N
XLogP1.49
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-methylpyrazol-3-yl)-1-(4-methylsulfonylphenyl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103005996
3-(2-methylpyrazol-3-yl)-1-pyridin-4-ylpropan-1-ol
CID 103005969
4-methyl-1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-ol
CID 103027950
1-(5-bromo-3-pyridinyl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103006837
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103006160
1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 64516316
3-(2-methylpyrazol-3-yl)-1-(5-methylpyrimidin-2-yl)propan-1-ol
CID 103008459
1-(2-methylpyrazol-3-yl)hexane-3,4-diol
CID 103454643
1-(4-methylsulfonylphenyl)heptan-1-ol
CID 115783500
1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-one
CID 103024265
1-(7-bromo-1,3-benzodioxol-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103005945
2-methyl-4-(2-methylpyrazol-3-yl)butanoic acid
CID 103005024

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazol-3-yl)-1-(4-methylsulfonylphenyl)propan-1-ol?
The IUPAC name of 3-(2-methylpyrazol-3-yl)-1-(4-methylsulfonylphenyl)propan-1-ol (CID 103028007) is 3-(2-methylpyrazol-3-yl)-1-(4-methylsulfonylphenyl)propan-1-ol.
What is the SMILES notation for 3-(2-methylpyrazol-3-yl)-1-(4-methylsulfonylphenyl)propan-1-ol?
The canonical SMILES for 3-(2-methylpyrazol-3-yl)-1-(4-methylsulfonylphenyl)propan-1-ol is Cn1nccc1CCC(O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 3-(2-methylpyrazol-3-yl)-1-(4-methylsulfonylphenyl)propan-1-ol?
The InChIKey is OONGTBFLRBPFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-16-12(9-10-15-16)5-8-14(17)11-3-6-13(7-4-11)20(2,18)19/h3-4,6-7,9-10,14,17H,5,8H2,1-2H3.
What are the key properties of 3-(2-methylpyrazol-3-yl)-1-(4-methylsulfonylphenyl)propan-1-ol?
3-(2-methylpyrazol-3-yl)-1-(4-methylsulfonylphenyl)propan-1-ol has a molecular weight of 294.38 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrazol-3-yl)-1-(4-methylsulfonylphenyl)propan-1-ol is sourced from PubChem (CID 103028007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).