1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-ol

C10H17N3O3S — CID 116799380

IUPAC1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-ol
SMILESCS(=O)(=O)N1CCCC(Cn2cc(O)cn2)C1
InChIInChI=1S/C10H17N3O3S/c1-17(15,16)13-4-2-3-9(7-13)6-12-8-10(14)5-11-12/h5,8-9,14H,2-4,6-7H2,1H3
InChIKeyRRVDETFMUPVMEX-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.26
Rot. Bonds3

About 1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-ol

1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-ol (PubChem CID 116799380) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-ol.

Molecular Properties

Compound Name1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-ol
PubChem CID116799380
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-ol
SMILESCS(=O)(=O)N1CCCC(Cn2cc(O)cn2)C1
InChIInChI=1S/C10H17N3O3S/c1-17(15,16)13-4-2-3-9(7-13)6-12-8-10(14)5-11-12/h5,8-9,14H,2-4,6-7H2,1H3
InChIKeyRRVDETFMUPVMEX-UHFFFAOYSA-N
XLogP0.26
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-yl]ethanone
CID 79623164
N-[[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 79619913
[1-[(1-methylsulfonylpiperidin-3-yl)methyl]azetidin-3-yl]methanol
CID 79622641
3-[[4-(2-chloroethyl)triazol-1-yl]methyl]-1-methylsulfonylpiperidine
CID 79622809
1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-ol
CID 117124738
1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]triazol-4-yl]propan-1-amine
CID 106227548
methyl 2-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]imidazole-4-carboxylate
CID 79613124
3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine
CID 59148098
(3S)-3-[[4-[(3,3-dimethylpyrrolidin-1-yl)methyl]triazol-1-yl]methyl]-1-methylsulfonylpiperidine
CID 30877153
[2-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-3-yl]methanamine
CID 79623257
(3S)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol
CID 113249309
1-[(1-methylsulfonylpiperidin-3-yl)methyl]-6-oxopyridine-3-carboxylic acid
CID 79611507

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-ol?
The IUPAC name of 1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-ol (CID 116799380) is 1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-ol.
What is the SMILES notation for 1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-ol?
The canonical SMILES for 1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-ol is CS(=O)(=O)N1CCCC(Cn2cc(O)cn2)C1.
What is the InChIKey of 1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-ol?
The InChIKey is RRVDETFMUPVMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-17(15,16)13-4-2-3-9(7-13)6-12-8-10(14)5-11-12/h5,8-9,14H,2-4,6-7H2,1H3.
What are the key properties of 1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-ol?
1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-ol has a molecular weight of 259.33 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-ol is sourced from PubChem (CID 116799380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).