1-(1-ethylpyrazol-4-yl)sulfonyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine

C13H20N6O2S — CID 91913570

IUPAC1-(1-ethylpyrazol-4-yl)sulfonyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
SMILESCCn1cc(S(=O)(=O)N2CCCCC2c2n[nH]c(C)n2)cn1
InChIInChI=1S/C13H20N6O2S/c1-3-18-9-11(8-14-18)22(20,21)19-7-5-4-6-12(19)13-15-10(2)16-17-13/h8-9,12H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyHNSOVAKUJZLEJN-UHFFFAOYSA-N
MW324.41 g/mol
LogP1.25
Rot. Bonds4

About 1-(1-ethylpyrazol-4-yl)sulfonyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine

1-(1-ethylpyrazol-4-yl)sulfonyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine (PubChem CID 91913570) has the molecular formula C13H20N6O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)sulfonyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)sulfonyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
PubChem CID91913570
Molecular FormulaC13H20N6O2S
Molecular Weight324.41 g/mol
Exact Mass324.14
IUPAC Name1-(1-ethylpyrazol-4-yl)sulfonyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
SMILESCCn1cc(S(=O)(=O)N2CCCCC2c2n[nH]c(C)n2)cn1
InChIInChI=1S/C13H20N6O2S/c1-3-18-9-11(8-14-18)22(20,21)19-7-5-4-6-12(19)13-15-10(2)16-17-13/h8-9,12H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyHNSOVAKUJZLEJN-UHFFFAOYSA-N
XLogP1.25
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(1-ethylpyrazol-4-yl)sulfonyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine 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-(1-ethylpyrazol-4-yl)sulfonyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)sulfonyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine (CID 91913570) is 1-(1-ethylpyrazol-4-yl)sulfonyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)sulfonyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)sulfonyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine is CCn1cc(S(=O)(=O)N2CCCCC2c2n[nH]c(C)n2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)sulfonyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine?
The InChIKey is HNSOVAKUJZLEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2S/c1-3-18-9-11(8-14-18)22(20,21)19-7-5-4-6-12(19)13-15-10(2)16-17-13/h8-9,12H,3-7H2,1-2H3,(H,15,16,17).
What are the key properties of 1-(1-ethylpyrazol-4-yl)sulfonyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine?
1-(1-ethylpyrazol-4-yl)sulfonyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine has a molecular weight of 324.41 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)sulfonyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 91913570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).