4-[4-cyclopropyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine

C15H22N6O2S — CID 72861012

IUPAC4-[4-cyclopropyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCC(c2nnc(Cn3cccn3)n2C2CC2)CC1
InChIInChI=1S/C15H22N6O2S/c1-24(22,23)20-9-5-12(6-10-20)15-18-17-14(21(15)13-3-4-13)11-19-8-2-7-16-19/h2,7-8,12-13H,3-6,9-11H2,1H3
InChIKeyKBXNXWGAOYJDGR-UHFFFAOYSA-N
MW350.45 g/mol
LogP1.00
Rot. Bonds5

About 4-[4-cyclopropyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine

4-[4-cyclopropyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine (PubChem CID 72861012) has the molecular formula C15H22N6O2S and a molecular weight of 350.45 g/mol. Its IUPAC name is 4-[4-cyclopropyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name4-[4-cyclopropyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine
PubChem CID72861012
Molecular FormulaC15H22N6O2S
Molecular Weight350.45 g/mol
Exact Mass350.15
IUPAC Name4-[4-cyclopropyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCC(c2nnc(Cn3cccn3)n2C2CC2)CC1
InChIInChI=1S/C15H22N6O2S/c1-24(22,23)20-9-5-12(6-10-20)15-18-17-14(21(15)13-3-4-13)11-19-8-2-7-16-19/h2,7-8,12-13H,3-6,9-11H2,1H3
InChIKeyKBXNXWGAOYJDGR-UHFFFAOYSA-N
XLogP1.00
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[4-cyclopropyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine with MolForge

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

Launch Full Analysis

Related Compounds

1-[4-[4-cyclopropyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-3-methylbutan-1-one
CID 72851332
1-benzyl-4-[4-cyclopropyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 72880455
4-[4-cyclopropyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine
CID 72892867
3-[4-[4-cyclopropyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-N-methylpropanamide
CID 72855840
4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-ethylsulfonylpiperidine
CID 72868615
1-methylsulfonyl-4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 70715435
2-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
CID 72841662
3-[4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine
CID 72883483
ethyl 4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxylate
CID 72889436
(1-ethylpyrazol-3-yl)-[4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 72908387
(1-ethylpyrazol-4-yl)-[4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 72891051
3-(1-methylsulfonylpiperidin-4-yl)-6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912835

Frequently Asked Questions

What is the IUPAC name of 4-[4-cyclopropyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine?
The IUPAC name of 4-[4-cyclopropyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine (CID 72861012) is 4-[4-cyclopropyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine.
What is the SMILES notation for 4-[4-cyclopropyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine?
The canonical SMILES for 4-[4-cyclopropyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine is CS(=O)(=O)N1CCC(c2nnc(Cn3cccn3)n2C2CC2)CC1.
What is the InChIKey of 4-[4-cyclopropyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine?
The InChIKey is KBXNXWGAOYJDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2S/c1-24(22,23)20-9-5-12(6-10-20)15-18-17-14(21(15)13-3-4-13)11-19-8-2-7-16-19/h2,7-8,12-13H,3-6,9-11H2,1H3.
What are the key properties of 4-[4-cyclopropyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine?
4-[4-cyclopropyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine has a molecular weight of 350.45 g/mol, XLogP of 1.00, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-cyclopropyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine is sourced from PubChem (CID 72861012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).