1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-N-[(1-ethylpyrazol-3-yl)methyl]piperidine-3-carboxamide

C18H28N6O3S — CID 17022331

About 1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-N-[(1-ethylpyrazol-3-yl)methyl]piperidine-3-carboxamide

1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-N-[(1-ethylpyrazol-3-yl)methyl]piperidine-3-carboxamide (PubChem CID 17022331) has the molecular formula C18H28N6O3S and a molecular weight of 408.53 g/mol. Its IUPAC name is 1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-N-[(1-ethylpyrazol-3-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-N-[(1-ethylpyrazol-3-yl)methyl]piperidine-3-carboxamide
• PubChem CID: 17022331
• Molecular Formula: C18H28N6O3S
• Molecular Weight: 408.53 g/mol
• Exact Mass: 408.19
• IUPAC Name: 1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-N-[(1-ethylpyrazol-3-yl)methyl]piperidine-3-carboxamide
• SMILES: CCn1ccc(CNC(=O)C2CCCN(S(=O)(=O)c3cn(CC)nc3C)C2)n1
• InChI: InChI=1S/C18H28N6O3S/c1-4-22-10-8-16(21-22)11-19-18(25)15-7-6-9-24(12-15)28(26,27)17-13-23(5-2)20-14(17)3/h8,10,13,15H,4-7,9,11-12H2,1-3H3,(H,19,25)
• InChIKey: CSNJZNSCYUILKF-UHFFFAOYSA-N
• XLogP: 1.14
• TPSA: 102.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.53
LogP ≤ 5	1.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-N-[(1-ethylpyrazol-3-yl)methyl]piperidine-3-carboxamide?

The IUPAC name of 1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-N-[(1-ethylpyrazol-3-yl)methyl]piperidine-3-carboxamide (CID 17022331) is 1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-N-[(1-ethylpyrazol-3-yl)methyl]piperidine-3-carboxamide.

What is the SMILES notation for 1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-N-[(1-ethylpyrazol-3-yl)methyl]piperidine-3-carboxamide?

The canonical SMILES for 1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-N-[(1-ethylpyrazol-3-yl)methyl]piperidine-3-carboxamide is CCn1ccc(CNC(=O)C2CCCN(S(=O)(=O)c3cn(CC)nc3C)C2)n1.

What is the InChIKey of 1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-N-[(1-ethylpyrazol-3-yl)methyl]piperidine-3-carboxamide?

The InChIKey is CSNJZNSCYUILKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O3S/c1-4-22-10-8-16(21-22)11-19-18(25)15-7-6-9-24(12-15)28(26,27)17-13-23(5-2)20-14(17)3/h8,10,13,15H,4-7,9,11-12H2,1-3H3,(H,19,25).

What are the key properties of 1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-N-[(1-ethylpyrazol-3-yl)methyl]piperidine-3-carboxamide?

1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-N-[(1-ethylpyrazol-3-yl)methyl]piperidine-3-carboxamide has a molecular weight of 408.53 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-N-[(1-ethylpyrazol-3-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 17022331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).