3-(1-butylimidazol-2-yl)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine

C17H27N5O2S — CID 72919805

IUPAC3-(1-butylimidazol-2-yl)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine
SMILESCCCCn1ccnc1C1CCCN(S(=O)(=O)c2cnn(CC)c2)C1
InChIInChI=1S/C17H27N5O2S/c1-3-5-9-20-11-8-18-17(20)15-7-6-10-22(13-15)25(23,24)16-12-19-21(4-2)14-16/h8,11-12,14-15H,3-7,9-10,13H2,1-2H3
InChIKeyQOUGZSVHOQBWBT-UHFFFAOYSA-N
MW365.50 g/mol
LogP2.47
Rot. Bonds7

About 3-(1-butylimidazol-2-yl)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine

3-(1-butylimidazol-2-yl)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine (PubChem CID 72919805) has the molecular formula C17H27N5O2S and a molecular weight of 365.50 g/mol. Its IUPAC name is 3-(1-butylimidazol-2-yl)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine.

Molecular Properties

Compound Name3-(1-butylimidazol-2-yl)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine
PubChem CID72919805
Molecular FormulaC17H27N5O2S
Molecular Weight365.50 g/mol
Exact Mass365.19
IUPAC Name3-(1-butylimidazol-2-yl)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine
SMILESCCCCn1ccnc1C1CCCN(S(=O)(=O)c2cnn(CC)c2)C1
InChIInChI=1S/C17H27N5O2S/c1-3-5-9-20-11-8-18-17(20)15-7-6-10-22(13-15)25(23,24)16-12-19-21(4-2)14-16/h8,11-12,14-15H,3-7,9-10,13H2,1-2H3
InChIKeyQOUGZSVHOQBWBT-UHFFFAOYSA-N
XLogP2.47
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(1-butylimidazol-2-yl)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine 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 3-(1-butylimidazol-2-yl)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine?
The IUPAC name of 3-(1-butylimidazol-2-yl)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine (CID 72919805) is 3-(1-butylimidazol-2-yl)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine.
What is the SMILES notation for 3-(1-butylimidazol-2-yl)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine?
The canonical SMILES for 3-(1-butylimidazol-2-yl)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine is CCCCn1ccnc1C1CCCN(S(=O)(=O)c2cnn(CC)c2)C1.
What is the InChIKey of 3-(1-butylimidazol-2-yl)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine?
The InChIKey is QOUGZSVHOQBWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2S/c1-3-5-9-20-11-8-18-17(20)15-7-6-10-22(13-15)25(23,24)16-12-19-21(4-2)14-16/h8,11-12,14-15H,3-7,9-10,13H2,1-2H3.
What are the key properties of 3-(1-butylimidazol-2-yl)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine?
3-(1-butylimidazol-2-yl)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine has a molecular weight of 365.50 g/mol, XLogP of 2.47, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-butylimidazol-2-yl)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine is sourced from PubChem (CID 72919805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).