4-[4-(2,2-dimethylpropyl)pyrazol-1-yl]-1-methylsulfonylpiperidine

C14H25N3O2S — CID 166010049

IUPAC4-[4-(2,2-dimethylpropyl)pyrazol-1-yl]-1-methylsulfonylpiperidine
SMILESCC(C)(C)Cc1cnn(C2CCN(S(C)(=O)=O)CC2)c1
InChIInChI=1S/C14H25N3O2S/c1-14(2,3)9-12-10-15-17(11-12)13-5-7-16(8-6-13)20(4,18)19/h10-11,13H,5-9H2,1-4H3
InChIKeyDPWUURAITODOLR-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.07
Rot. Bonds3

About 4-[4-(2,2-dimethylpropyl)pyrazol-1-yl]-1-methylsulfonylpiperidine

4-[4-(2,2-dimethylpropyl)pyrazol-1-yl]-1-methylsulfonylpiperidine (PubChem CID 166010049) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 4-[4-(2,2-dimethylpropyl)pyrazol-1-yl]-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name4-[4-(2,2-dimethylpropyl)pyrazol-1-yl]-1-methylsulfonylpiperidine
PubChem CID166010049
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name4-[4-(2,2-dimethylpropyl)pyrazol-1-yl]-1-methylsulfonylpiperidine
SMILESCC(C)(C)Cc1cnn(C2CCN(S(C)(=O)=O)CC2)c1
InChIInChI=1S/C14H25N3O2S/c1-14(2,3)9-12-10-15-17(11-12)13-5-7-16(8-6-13)20(4,18)19/h10-11,13H,5-9H2,1-4H3
InChIKeyDPWUURAITODOLR-UHFFFAOYSA-N
XLogP2.07
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,2-dimethylpropyl)pyrazol-1-yl]-1-methylsulfonylpiperidine?
The IUPAC name of 4-[4-(2,2-dimethylpropyl)pyrazol-1-yl]-1-methylsulfonylpiperidine (CID 166010049) is 4-[4-(2,2-dimethylpropyl)pyrazol-1-yl]-1-methylsulfonylpiperidine.
What is the SMILES notation for 4-[4-(2,2-dimethylpropyl)pyrazol-1-yl]-1-methylsulfonylpiperidine?
The canonical SMILES for 4-[4-(2,2-dimethylpropyl)pyrazol-1-yl]-1-methylsulfonylpiperidine is CC(C)(C)Cc1cnn(C2CCN(S(C)(=O)=O)CC2)c1.
What is the InChIKey of 4-[4-(2,2-dimethylpropyl)pyrazol-1-yl]-1-methylsulfonylpiperidine?
The InChIKey is DPWUURAITODOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-14(2,3)9-12-10-15-17(11-12)13-5-7-16(8-6-13)20(4,18)19/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 4-[4-(2,2-dimethylpropyl)pyrazol-1-yl]-1-methylsulfonylpiperidine?
4-[4-(2,2-dimethylpropyl)pyrazol-1-yl]-1-methylsulfonylpiperidine has a molecular weight of 299.44 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,2-dimethylpropyl)pyrazol-1-yl]-1-methylsulfonylpiperidine is sourced from PubChem (CID 166010049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).