4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-methylsulfonylpiperidine

C12H21N3O2S — CID 71781244

IUPAC4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-methylsulfonylpiperidine
SMILESCc1cc(C)n(CC2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C12H21N3O2S/c1-10-8-11(2)15(13-10)9-12-4-6-14(7-5-12)18(3,16)17/h8,12H,4-7,9H2,1-3H3
InChIKeyFNBLIMDASGRWCY-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.17
Rot. Bonds3

About 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-methylsulfonylpiperidine

4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-methylsulfonylpiperidine (PubChem CID 71781244) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-methylsulfonylpiperidine
PubChem CID71781244
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-methylsulfonylpiperidine
SMILESCc1cc(C)n(CC2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C12H21N3O2S/c1-10-8-11(2)15(13-10)9-12-4-6-14(7-5-12)18(3,16)17/h8,12H,4-7,9H2,1-3H3
InChIKeyFNBLIMDASGRWCY-UHFFFAOYSA-N
XLogP1.17
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-methylsulfonylpiperidine?
The IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-methylsulfonylpiperidine (CID 71781244) is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-methylsulfonylpiperidine.
What is the SMILES notation for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-methylsulfonylpiperidine?
The canonical SMILES for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-methylsulfonylpiperidine is Cc1cc(C)n(CC2CCN(S(C)(=O)=O)CC2)n1.
What is the InChIKey of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-methylsulfonylpiperidine?
The InChIKey is FNBLIMDASGRWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-10-8-11(2)15(13-10)9-12-4-6-14(7-5-12)18(3,16)17/h8,12H,4-7,9H2,1-3H3.
What are the key properties of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-methylsulfonylpiperidine?
4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-methylsulfonylpiperidine has a molecular weight of 271.39 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-methylsulfonylpiperidine is sourced from PubChem (CID 71781244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).