2-methyl-3-(2-pyrazol-1-ylethylsulfonyl)propan-1-ol

C9H16N2O3S — CID 111469859

IUPAC2-methyl-3-(2-pyrazol-1-ylethylsulfonyl)propan-1-ol
SMILESCC(CO)CS(=O)(=O)CCn1cccn1
InChIInChI=1S/C9H16N2O3S/c1-9(7-12)8-15(13,14)6-5-11-4-2-3-10-11/h2-4,9,12H,5-8H2,1H3
InChIKeyMBJCCUWMIBFWTB-UHFFFAOYSA-N
MW232.30 g/mol
LogP-0.07
Rot. Bonds6

About 2-methyl-3-(2-pyrazol-1-ylethylsulfonyl)propan-1-ol

2-methyl-3-(2-pyrazol-1-ylethylsulfonyl)propan-1-ol (PubChem CID 111469859) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-methyl-3-(2-pyrazol-1-ylethylsulfonyl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-(2-pyrazol-1-ylethylsulfonyl)propan-1-ol
PubChem CID111469859
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC Name2-methyl-3-(2-pyrazol-1-ylethylsulfonyl)propan-1-ol
SMILESCC(CO)CS(=O)(=O)CCn1cccn1
InChIInChI=1S/C9H16N2O3S/c1-9(7-12)8-15(13,14)6-5-11-4-2-3-10-11/h2-4,9,12H,5-8H2,1H3
InChIKeyMBJCCUWMIBFWTB-UHFFFAOYSA-N
XLogP-0.07
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-(2-pyrazol-1-ylethylsulfonyl)propan-1-amine
CID 81198035
2-methyl-2-(2-pyrazol-1-ylethylsulfonyl)propanoic acid
CID 81229830
(2S)-2-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-ol
CID 103952125
N-(2-methylsulfonylethyl)-4-pyrazol-1-ylbutan-2-amine
CID 115977569
3-methyl-4-pyrazol-1-ylbutan-2-ol
CID 142163216
N-(3-pyrazol-1-ylpropyl)propane-1-sulfonamide
CID 112686403
3-methyl-N-(3-pyrazol-1-ylpropyl)butanamide
CID 51077805
2-methyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylpropyl)propanamide
CID 131920894
(2R)-1-(3-pyrazol-1-ylpropylamino)propan-2-ol
CID 106932499
1-pentylpyrazole;propane
CID 156859541
4-pyrazol-1-ylbutan-1-ol
CID 43509832
3-methyl-1-pyrazol-1-ylbutan-2-one
CID 59531413

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-pyrazol-1-ylethylsulfonyl)propan-1-ol?
The IUPAC name of 2-methyl-3-(2-pyrazol-1-ylethylsulfonyl)propan-1-ol (CID 111469859) is 2-methyl-3-(2-pyrazol-1-ylethylsulfonyl)propan-1-ol.
What is the SMILES notation for 2-methyl-3-(2-pyrazol-1-ylethylsulfonyl)propan-1-ol?
The canonical SMILES for 2-methyl-3-(2-pyrazol-1-ylethylsulfonyl)propan-1-ol is CC(CO)CS(=O)(=O)CCn1cccn1.
What is the InChIKey of 2-methyl-3-(2-pyrazol-1-ylethylsulfonyl)propan-1-ol?
The InChIKey is MBJCCUWMIBFWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-9(7-12)8-15(13,14)6-5-11-4-2-3-10-11/h2-4,9,12H,5-8H2,1H3.
What are the key properties of 2-methyl-3-(2-pyrazol-1-ylethylsulfonyl)propan-1-ol?
2-methyl-3-(2-pyrazol-1-ylethylsulfonyl)propan-1-ol has a molecular weight of 232.30 g/mol, XLogP of -0.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-pyrazol-1-ylethylsulfonyl)propan-1-ol is sourced from PubChem (CID 111469859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).