4-[5-cyclopropyl-4-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

C26H29F6N5O2 — CID 87400026

About 4-[5-cyclopropyl-4-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

4-[5-cyclopropyl-4-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (PubChem CID 87400026) has the molecular formula C26H29F6N5O2 and a molecular weight of 557.54 g/mol. Its IUPAC name is 4-[5-cyclopropyl-4-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[5-cyclopropyl-4-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
• PubChem CID: 87400026
• Molecular Formula: C26H29F6N5O2
• Molecular Weight: 557.54 g/mol
• Exact Mass: 557.22
• IUPAC Name: 4-[5-cyclopropyl-4-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
• SMILES: O=C(NCC(F)(F)F)N1CCC(n2ncc(C(=O)N3CCCC3c3ccccc3C(F)(F)F)c2C2CC2)CC1
• InChI: InChI=1S/C26H29F6N5O2/c27-25(28,29)15-33-24(39)35-12-9-17(10-13-35)37-22(16-7-8-16)19(14-34-37)23(38)36-11-3-6-21(36)18-4-1-2-5-20(18)26(30,31)32/h1-2,4-5,14,16-17,21H,3,6-13,15H2,(H,33,39)
• InChIKey: UULVZARSDWNRLL-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 70.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.54
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[5-cyclopropyl-4-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?

The IUPAC name of 4-[5-cyclopropyl-4-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (CID 87400026) is 4-[5-cyclopropyl-4-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.

What is the SMILES notation for 4-[5-cyclopropyl-4-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?

The canonical SMILES for 4-[5-cyclopropyl-4-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is O=C(NCC(F)(F)F)N1CCC(n2ncc(C(=O)N3CCCC3c3ccccc3C(F)(F)F)c2C2CC2)CC1.

What is the InChIKey of 4-[5-cyclopropyl-4-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?

The InChIKey is UULVZARSDWNRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F6N5O2/c27-25(28,29)15-33-24(39)35-12-9-17(10-13-35)37-22(16-7-8-16)19(14-34-37)23(38)36-11-3-6-21(36)18-4-1-2-5-20(18)26(30,31)32/h1-2,4-5,14,16-17,21H,3,6-13,15H2,(H,33,39).

What are the key properties of 4-[5-cyclopropyl-4-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?

4-[5-cyclopropyl-4-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide has a molecular weight of 557.54 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-cyclopropyl-4-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is sourced from PubChem (CID 87400026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).