1-(1-cyclohexylpyrazol-3-yl)-3-methylsulfonylpropan-2-ol

C13H22N2O3S — CID 112692637

IUPAC1-(1-cyclohexylpyrazol-3-yl)-3-methylsulfonylpropan-2-ol
SMILESCS(=O)(=O)CC(O)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C13H22N2O3S/c1-19(17,18)10-13(16)9-11-7-8-15(14-11)12-5-3-2-4-6-12/h7-8,12-13,16H,2-6,9-10H2,1H3
InChIKeyNQJFDRNHYKRNLX-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.34
Rot. Bonds5

About 1-(1-cyclohexylpyrazol-3-yl)-3-methylsulfonylpropan-2-ol

1-(1-cyclohexylpyrazol-3-yl)-3-methylsulfonylpropan-2-ol (PubChem CID 112692637) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-(1-cyclohexylpyrazol-3-yl)-3-methylsulfonylpropan-2-ol.

Molecular Properties

Compound Name1-(1-cyclohexylpyrazol-3-yl)-3-methylsulfonylpropan-2-ol
PubChem CID112692637
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name1-(1-cyclohexylpyrazol-3-yl)-3-methylsulfonylpropan-2-ol
SMILESCS(=O)(=O)CC(O)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C13H22N2O3S/c1-19(17,18)10-13(16)9-11-7-8-15(14-11)12-5-3-2-4-6-12/h7-8,12-13,16H,2-6,9-10H2,1H3
InChIKeyNQJFDRNHYKRNLX-UHFFFAOYSA-N
XLogP1.34
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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1-(1-cyclohexylpyrazol-3-yl)-3-propoxypropan-2-ol
CID 64784919
1-(1-cyclohexylpyrazol-3-yl)-3-methyl-3-methylsulfonylbutan-2-amine
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4-(1-cyclohexylpyrazol-3-yl)-3-methylbutan-2-one
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1-(1-cyclohexylpyrazol-3-yl)-3-(thian-4-yl)propan-2-ol
CID 105102348
1-(1-cyclopentylpyrazol-3-yl)-4-methylpentane-2,3-diol
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1-(4-bromophenyl)-3-(1-cyclopentylpyrazol-3-yl)propan-2-ol
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1-(1-cyclopentylpyrazol-3-yl)-N,3-dimethyl-3-methylsulfonylbutan-2-amine
CID 104993943
(2S)-2-amino-3-(1-cyclohexylpyrazol-3-yl)propanoic acid
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CID 130480485

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-3-methylsulfonylpropan-2-ol?
The IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-3-methylsulfonylpropan-2-ol (CID 112692637) is 1-(1-cyclohexylpyrazol-3-yl)-3-methylsulfonylpropan-2-ol.
What is the SMILES notation for 1-(1-cyclohexylpyrazol-3-yl)-3-methylsulfonylpropan-2-ol?
The canonical SMILES for 1-(1-cyclohexylpyrazol-3-yl)-3-methylsulfonylpropan-2-ol is CS(=O)(=O)CC(O)Cc1ccn(C2CCCCC2)n1.
What is the InChIKey of 1-(1-cyclohexylpyrazol-3-yl)-3-methylsulfonylpropan-2-ol?
The InChIKey is NQJFDRNHYKRNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-19(17,18)10-13(16)9-11-7-8-15(14-11)12-5-3-2-4-6-12/h7-8,12-13,16H,2-6,9-10H2,1H3.
What are the key properties of 1-(1-cyclohexylpyrazol-3-yl)-3-methylsulfonylpropan-2-ol?
1-(1-cyclohexylpyrazol-3-yl)-3-methylsulfonylpropan-2-ol has a molecular weight of 286.40 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpyrazol-3-yl)-3-methylsulfonylpropan-2-ol is sourced from PubChem (CID 112692637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).