4-chloro-5-[2,6-difluoro-4-[(2R)-3,3,3-trifluoro-2-methylpropyl]phenyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide

C24H29ClF5N3O2 — CID 153296264

About 4-chloro-5-[2,6-difluoro-4-[(2R)-3,3,3-trifluoro-2-methylpropyl]phenyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide

4-chloro-5-[2,6-difluoro-4-[(2R)-3,3,3-trifluoro-2-methylpropyl]phenyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide (PubChem CID 153296264) has the molecular formula C24H29ClF5N3O2 and a molecular weight of 521.96 g/mol. Its IUPAC name is 4-chloro-5-[2,6-difluoro-4-[(2R)-3,3,3-trifluoro-2-methylpropyl]phenyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 4-chloro-5-[2,6-difluoro-4-[(2R)-3,3,3-trifluoro-2-methylpropyl]phenyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
• PubChem CID: 153296264
• Molecular Formula: C24H29ClF5N3O2
• Molecular Weight: 521.96 g/mol
• Exact Mass: 521.19
• IUPAC Name: 4-chloro-5-[2,6-difluoro-4-[(2R)-3,3,3-trifluoro-2-methylpropyl]phenyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
• SMILES: CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1c(F)cc(C[C@@H](C)C(F)(F)F)cc1F
• InChI: InChI=1S/C24H29ClF5N3O2/c1-4-33-21(18-16(26)10-15(11-17(18)27)9-14(3)24(28,29)30)19(25)20(32-33)22(34)31-12-23(35)7-5-13(2)6-8-23/h10-11,13-14,35H,4-9,12H2,1-3H3,(H,31,34)/t13?,14-,23?/m1/s1
• InChIKey: UGBGTRLMDCHTKK-UPZBEXCHSA-N
• XLogP: 5.91
• TPSA: 67.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.96
LogP ≤ 5	5.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[2,6-difluoro-4-[(2R)-3,3,3-trifluoro-2-methylpropyl]phenyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?

The IUPAC name of 4-chloro-5-[2,6-difluoro-4-[(2R)-3,3,3-trifluoro-2-methylpropyl]phenyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide (CID 153296264) is 4-chloro-5-[2,6-difluoro-4-[(2R)-3,3,3-trifluoro-2-methylpropyl]phenyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide.

What is the SMILES notation for 4-chloro-5-[2,6-difluoro-4-[(2R)-3,3,3-trifluoro-2-methylpropyl]phenyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?

The canonical SMILES for 4-chloro-5-[2,6-difluoro-4-[(2R)-3,3,3-trifluoro-2-methylpropyl]phenyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide is CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1c(F)cc(C[C@@H](C)C(F)(F)F)cc1F.

What is the InChIKey of 4-chloro-5-[2,6-difluoro-4-[(2R)-3,3,3-trifluoro-2-methylpropyl]phenyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?

The InChIKey is UGBGTRLMDCHTKK-UPZBEXCHSA-N. The full InChI is InChI=1S/C24H29ClF5N3O2/c1-4-33-21(18-16(26)10-15(11-17(18)27)9-14(3)24(28,29)30)19(25)20(32-33)22(34)31-12-23(35)7-5-13(2)6-8-23/h10-11,13-14,35H,4-9,12H2,1-3H3,(H,31,34)/t13?,14-,23?/m1/s1.

What are the key properties of 4-chloro-5-[2,6-difluoro-4-[(2R)-3,3,3-trifluoro-2-methylpropyl]phenyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?

4-chloro-5-[2,6-difluoro-4-[(2R)-3,3,3-trifluoro-2-methylpropyl]phenyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide has a molecular weight of 521.96 g/mol, XLogP of 5.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-5-[2,6-difluoro-4-[(2R)-3,3,3-trifluoro-2-methylpropyl]phenyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 153296264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).