1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]piperidine-3-carboxamide

C19H27F3N6O3S — CID 17024885

About 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]piperidine-3-carboxamide

1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]piperidine-3-carboxamide (PubChem CID 17024885) has the molecular formula C19H27F3N6O3S and a molecular weight of 476.53 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]piperidine-3-carboxamide
• PubChem CID: 17024885
• Molecular Formula: C19H27F3N6O3S
• Molecular Weight: 476.53 g/mol
• Exact Mass: 476.18
• IUPAC Name: 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]piperidine-3-carboxamide
• SMILES: Cc1c(S(=O)(=O)N2CCCC(C(=O)NCCCn3nc(C(F)(F)F)cc3C)C2)cnn1C
• InChI: InChI=1S/C19H27F3N6O3S/c1-13-10-17(19(20,21)22)25-28(13)9-5-7-23-18(29)15-6-4-8-27(12-15)32(30,31)16-11-24-26(3)14(16)2/h10-11,15H,4-9,12H2,1-3H3,(H,23,29)
• InChIKey: DQRRBVWGTUNPHI-UHFFFAOYSA-N
• XLogP: 1.86
• TPSA: 102.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.53
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]piperidine-3-carboxamide?

The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]piperidine-3-carboxamide (CID 17024885) is 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]piperidine-3-carboxamide.

What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]piperidine-3-carboxamide?

The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]piperidine-3-carboxamide is Cc1c(S(=O)(=O)N2CCCC(C(=O)NCCCn3nc(C(F)(F)F)cc3C)C2)cnn1C.

What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]piperidine-3-carboxamide?

The InChIKey is DQRRBVWGTUNPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N6O3S/c1-13-10-17(19(20,21)22)25-28(13)9-5-7-23-18(29)15-6-4-8-27(12-15)32(30,31)16-11-24-26(3)14(16)2/h10-11,15H,4-9,12H2,1-3H3,(H,23,29).

What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]piperidine-3-carboxamide?

1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]piperidine-3-carboxamide has a molecular weight of 476.53 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]piperidine-3-carboxamide is sourced from PubChem (CID 17024885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).