1-methylsulfonyl-4-(1,4,5-trimethylpyrazol-3-yl)oxypiperidine

C12H21N3O3S — CID 170445430

IUPAC1-methylsulfonyl-4-(1,4,5-trimethylpyrazol-3-yl)oxypiperidine
SMILESCc1c(OC2CCN(S(C)(=O)=O)CC2)nn(C)c1C
InChIInChI=1S/C12H21N3O3S/c1-9-10(2)14(3)13-12(9)18-11-5-7-15(8-6-11)19(4,16)17/h11H,5-8H2,1-4H3
InChIKeyLURKNNCJBKLXTC-UHFFFAOYSA-N
MW287.38 g/mol
LogP0.84
Rot. Bonds3

About 1-methylsulfonyl-4-(1,4,5-trimethylpyrazol-3-yl)oxypiperidine

1-methylsulfonyl-4-(1,4,5-trimethylpyrazol-3-yl)oxypiperidine (PubChem CID 170445430) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-methylsulfonyl-4-(1,4,5-trimethylpyrazol-3-yl)oxypiperidine.

Molecular Properties

Compound Name1-methylsulfonyl-4-(1,4,5-trimethylpyrazol-3-yl)oxypiperidine
PubChem CID170445430
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC Name1-methylsulfonyl-4-(1,4,5-trimethylpyrazol-3-yl)oxypiperidine
SMILESCc1c(OC2CCN(S(C)(=O)=O)CC2)nn(C)c1C
InChIInChI=1S/C12H21N3O3S/c1-9-10(2)14(3)13-12(9)18-11-5-7-15(8-6-11)19(4,16)17/h11H,5-8H2,1-4H3
InChIKeyLURKNNCJBKLXTC-UHFFFAOYSA-N
XLogP0.84
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methylsulfonyl-4-(1,4,5-trimethylpyrazol-3-yl)oxypiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-4-(1,4,5-trimethylpyrazol-3-yl)oxypiperidine?
The IUPAC name of 1-methylsulfonyl-4-(1,4,5-trimethylpyrazol-3-yl)oxypiperidine (CID 170445430) is 1-methylsulfonyl-4-(1,4,5-trimethylpyrazol-3-yl)oxypiperidine.
What is the SMILES notation for 1-methylsulfonyl-4-(1,4,5-trimethylpyrazol-3-yl)oxypiperidine?
The canonical SMILES for 1-methylsulfonyl-4-(1,4,5-trimethylpyrazol-3-yl)oxypiperidine is Cc1c(OC2CCN(S(C)(=O)=O)CC2)nn(C)c1C.
What is the InChIKey of 1-methylsulfonyl-4-(1,4,5-trimethylpyrazol-3-yl)oxypiperidine?
The InChIKey is LURKNNCJBKLXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-9-10(2)14(3)13-12(9)18-11-5-7-15(8-6-11)19(4,16)17/h11H,5-8H2,1-4H3.
What are the key properties of 1-methylsulfonyl-4-(1,4,5-trimethylpyrazol-3-yl)oxypiperidine?
1-methylsulfonyl-4-(1,4,5-trimethylpyrazol-3-yl)oxypiperidine has a molecular weight of 287.38 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-4-(1,4,5-trimethylpyrazol-3-yl)oxypiperidine is sourced from PubChem (CID 170445430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).