4-chloro-5-[4-(difluoromethoxy)-6-(4,4,4-trifluorobutyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide

C24H30ClF5N4O2 — CID 153296725

About 4-chloro-5-[4-(difluoromethoxy)-6-(4,4,4-trifluorobutyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide

4-chloro-5-[4-(difluoromethoxy)-6-(4,4,4-trifluorobutyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide (PubChem CID 153296725) has the molecular formula C24H30ClF5N4O2 and a molecular weight of 536.97 g/mol. Its IUPAC name is 4-chloro-5-[4-(difluoromethoxy)-6-(4,4,4-trifluorobutyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 4-chloro-5-[4-(difluoromethoxy)-6-(4,4,4-trifluorobutyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
• PubChem CID: 153296725
• Molecular Formula: C24H30ClF5N4O2
• Molecular Weight: 536.97 g/mol
• Exact Mass: 536.20
• IUPAC Name: 4-chloro-5-[4-(difluoromethoxy)-6-(4,4,4-trifluorobutyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
• SMILES: CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1cnc(CCCC(F)(F)F)cc1OC(F)F
• InChI: InChI=1S/C24H30ClF5N4O2/c1-3-34-21(19(25)20(33-34)22(35)32-12-15-8-6-14(2)7-9-15)17-13-31-16(5-4-10-24(28,29)30)11-18(17)36-23(26)27/h11,13-15,23H,3-10,12H2,1-2H3,(H,32,35)
• InChIKey: PDGODXDBMUZJJA-UHFFFAOYSA-N
• XLogP: 6.66
• TPSA: 69.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.97
LogP ≤ 5	6.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[4-(difluoromethoxy)-6-(4,4,4-trifluorobutyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?

The IUPAC name of 4-chloro-5-[4-(difluoromethoxy)-6-(4,4,4-trifluorobutyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide (CID 153296725) is 4-chloro-5-[4-(difluoromethoxy)-6-(4,4,4-trifluorobutyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide.

What is the SMILES notation for 4-chloro-5-[4-(difluoromethoxy)-6-(4,4,4-trifluorobutyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?

The canonical SMILES for 4-chloro-5-[4-(difluoromethoxy)-6-(4,4,4-trifluorobutyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide is CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1cnc(CCCC(F)(F)F)cc1OC(F)F.

What is the InChIKey of 4-chloro-5-[4-(difluoromethoxy)-6-(4,4,4-trifluorobutyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?

The InChIKey is PDGODXDBMUZJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClF5N4O2/c1-3-34-21(19(25)20(33-34)22(35)32-12-15-8-6-14(2)7-9-15)17-13-31-16(5-4-10-24(28,29)30)11-18(17)36-23(26)27/h11,13-15,23H,3-10,12H2,1-2H3,(H,32,35).

What are the key properties of 4-chloro-5-[4-(difluoromethoxy)-6-(4,4,4-trifluorobutyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?

4-chloro-5-[4-(difluoromethoxy)-6-(4,4,4-trifluorobutyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide has a molecular weight of 536.97 g/mol, XLogP of 6.66, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-5-[4-(difluoromethoxy)-6-(4,4,4-trifluorobutyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 153296725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).