5-[4-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide

C26H35F5N4O3 — CID 153296764

About 5-[4-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide

5-[4-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide (PubChem CID 153296764) has the molecular formula C26H35F5N4O3 and a molecular weight of 546.58 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[4-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide
• PubChem CID: 153296764
• Molecular Formula: C26H35F5N4O3
• Molecular Weight: 546.58 g/mol
• Exact Mass: 546.26
• IUPAC Name: 5-[4-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide
• SMILES: CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(C)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1OC(F)F
• InChI: InChI=1S/C26H35F5N4O3/c1-6-35-21(16(3)20(34-35)22(36)33-14-25(37)9-7-15(2)8-10-25)18-13-32-17(11-19(18)38-23(27)28)12-24(4,5)26(29,30)31/h11,13,15,23,37H,6-10,12,14H2,1-5H3,(H,33,36)
• InChIKey: YIRDTQYLVBXIST-UHFFFAOYSA-N
• XLogP: 5.68
• TPSA: 89.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.58
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide?

The IUPAC name of 5-[4-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide (CID 153296764) is 5-[4-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide.

What is the SMILES notation for 5-[4-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide?

The canonical SMILES for 5-[4-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide is CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(C)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1OC(F)F.

What is the InChIKey of 5-[4-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide?

The InChIKey is YIRDTQYLVBXIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35F5N4O3/c1-6-35-21(16(3)20(34-35)22(36)33-14-25(37)9-7-15(2)8-10-25)18-13-32-17(11-19(18)38-23(27)28)12-24(4,5)26(29,30)31/h11,13,15,23,37H,6-10,12,14H2,1-5H3,(H,33,36).

What are the key properties of 5-[4-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide?

5-[4-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide has a molecular weight of 546.58 g/mol, XLogP of 5.68, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide is sourced from PubChem (CID 153296764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).