4-methyl-1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-ol

C11H20N2O3S — CID 103027950

IUPAC4-methyl-1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-ol
SMILESCn1nccc1CCC(O)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C11H20N2O3S/c1-11(2,17(4,15)16)10(14)6-5-9-7-8-12-13(9)3/h7-8,10,14H,5-6H2,1-4H3
InChIKeyZYFICGVTVAXXMN-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.54
Rot. Bonds5

About 4-methyl-1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-ol

4-methyl-1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-ol (PubChem CID 103027950) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 4-methyl-1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-ol.

Molecular Properties

Compound Name4-methyl-1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-ol
PubChem CID103027950
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name4-methyl-1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-ol
SMILESCn1nccc1CCC(O)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C11H20N2O3S/c1-11(2,17(4,15)16)10(14)6-5-9-7-8-12-13(9)3/h7-8,10,14H,5-6H2,1-4H3
InChIKeyZYFICGVTVAXXMN-UHFFFAOYSA-N
XLogP0.54
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1,1,1-trifluoro-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103008517
2,2-dimethyl-6-(2-methylpyrazol-3-yl)hexan-3-ol
CID 103013811
4-methyl-1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-one
CID 103024248
3-(2-methylpyrazol-3-yl)-1-(4-methylsulfonylphenyl)propan-1-ol
CID 103028007
1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 64516316
1-(tert-butylamino)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103017776
1-(2-methylpyrazol-3-yl)hexane-3,4-diol
CID 103454643
4-methoxy-1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 103008347
1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-one
CID 103024265
4,4-dimethyl-6-(2-methylpyrazol-3-yl)hexan-2-ol
CID 103016020
2-methyl-4-(2-methylpyrazol-3-yl)butanoic acid
CID 103005024
3-(2-methylpyrazol-3-yl)-1-pyridin-4-ylpropan-1-ol
CID 103005969

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-ol?
The IUPAC name of 4-methyl-1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-ol (CID 103027950) is 4-methyl-1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-ol.
What is the SMILES notation for 4-methyl-1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-ol?
The canonical SMILES for 4-methyl-1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-ol is Cn1nccc1CCC(O)C(C)(C)S(C)(=O)=O.
What is the InChIKey of 4-methyl-1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-ol?
The InChIKey is ZYFICGVTVAXXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-11(2,17(4,15)16)10(14)6-5-9-7-8-12-13(9)3/h7-8,10,14H,5-6H2,1-4H3.
What are the key properties of 4-methyl-1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-ol?
4-methyl-1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-ol has a molecular weight of 260.36 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-ol is sourced from PubChem (CID 103027950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).