3-(difluoromethyl)-5-[(1-ethyl-3-methoxypyrazol-4-yl)methyl]-1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]pyrazole;(1R)-1-[2-[3-(difluoromethyl)-5-[(1-ethyl-3-methoxypyrazol-4-yl)methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol

C45H48F6N8O4 — CID 164966501

About 3-(difluoromethyl)-5-[(1-ethyl-3-methoxypyrazol-4-yl)methyl]-1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]pyrazole;(1R)-1-[2-[3-(difluoromethyl)-5-[(1-ethyl-3-methoxypyrazol-4-yl)methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol

3-(difluoromethyl)-5-[(1-ethyl-3-methoxypyrazol-4-yl)methyl]-1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]pyrazole;(1R)-1-[2-[3-(difluoromethyl)-5-[(1-ethyl-3-methoxypyrazol-4-yl)methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol (PubChem CID 164966501) has the molecular formula C45H48F6N8O4 and a molecular weight of 878.92 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-[(1-ethyl-3-methoxypyrazol-4-yl)methyl]-1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]pyrazole;(1R)-1-[2-[3-(difluoromethyl)-5-[(1-ethyl-3-methoxypyrazol-4-yl)methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol.

Molecular Properties

• Compound Name: 3-(difluoromethyl)-5-[(1-ethyl-3-methoxypyrazol-4-yl)methyl]-1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]pyrazole;(1R)-1-[2-[3-(difluoromethyl)-5-[(1-ethyl-3-methoxypyrazol-4-yl)methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol
• PubChem CID: 164966501
• Molecular Formula: C45H48F6N8O4
• Molecular Weight: 878.92 g/mol
• Exact Mass: 878.37
• IUPAC Name: 3-(difluoromethyl)-5-[(1-ethyl-3-methoxypyrazol-4-yl)methyl]-1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]pyrazole;(1R)-1-[2-[3-(difluoromethyl)-5-[(1-ethyl-3-methoxypyrazol-4-yl)methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol
• SMILES: CCn1cc(Cc2cc(C(F)F)nn2-c2ccc(F)cc2[C@@H](C)O)c(OC)n1.CCn1cc(Cc2cc(C(F)F)nn2-c2ccc(F)cc2[C@@H](C)OCc2ccccc2)c(OC)n1
• InChI: InChI=1S/C26H27F3N4O2.C19H21F3N4O2/c1-4-32-15-19(26(31-32)34-3)12-21-14-23(25(28)29)30-33(21)24-11-10-20(27)13-22(24)17(2)35-16-18-8-6-5-7-9-18;1-4-25-10-12(19(24-25)28-3)7-14-9-16(18(21)22)23-26(14)17-6-5-13(20)8-15(17)11(2)27/h5-11,13-15,17,25H,4,12,16H2,1-3H3;5-6,8-11,18,27H,4,7H2,1-3H3/t17-;11-/m11/s1
• InChIKey: CNZREZUOHIBOBS-DYGAJBEPSA-N
• XLogP: 9.86
• TPSA: 119.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	878.92
LogP ≤ 5	9.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-[(1-ethyl-3-methoxypyrazol-4-yl)methyl]-1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]pyrazole;(1R)-1-[2-[3-(difluoromethyl)-5-[(1-ethyl-3-methoxypyrazol-4-yl)methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol?

The IUPAC name of 3-(difluoromethyl)-5-[(1-ethyl-3-methoxypyrazol-4-yl)methyl]-1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]pyrazole;(1R)-1-[2-[3-(difluoromethyl)-5-[(1-ethyl-3-methoxypyrazol-4-yl)methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol (CID 164966501) is 3-(difluoromethyl)-5-[(1-ethyl-3-methoxypyrazol-4-yl)methyl]-1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]pyrazole;(1R)-1-[2-[3-(difluoromethyl)-5-[(1-ethyl-3-methoxypyrazol-4-yl)methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol.

What is the SMILES notation for 3-(difluoromethyl)-5-[(1-ethyl-3-methoxypyrazol-4-yl)methyl]-1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]pyrazole;(1R)-1-[2-[3-(difluoromethyl)-5-[(1-ethyl-3-methoxypyrazol-4-yl)methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol?

The canonical SMILES for 3-(difluoromethyl)-5-[(1-ethyl-3-methoxypyrazol-4-yl)methyl]-1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]pyrazole;(1R)-1-[2-[3-(difluoromethyl)-5-[(1-ethyl-3-methoxypyrazol-4-yl)methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol is CCn1cc(Cc2cc(C(F)F)nn2-c2ccc(F)cc2[C@@H](C)O)c(OC)n1.CCn1cc(Cc2cc(C(F)F)nn2-c2ccc(F)cc2[C@@H](C)OCc2ccccc2)c(OC)n1.

What is the InChIKey of 3-(difluoromethyl)-5-[(1-ethyl-3-methoxypyrazol-4-yl)methyl]-1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]pyrazole;(1R)-1-[2-[3-(difluoromethyl)-5-[(1-ethyl-3-methoxypyrazol-4-yl)methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol?

The InChIKey is CNZREZUOHIBOBS-DYGAJBEPSA-N. The full InChI is InChI=1S/C26H27F3N4O2.C19H21F3N4O2/c1-4-32-15-19(26(31-32)34-3)12-21-14-23(25(28)29)30-33(21)24-11-10-20(27)13-22(24)17(2)35-16-18-8-6-5-7-9-18;1-4-25-10-12(19(24-25)28-3)7-14-9-16(18(21)22)23-26(14)17-6-5-13(20)8-15(17)11(2)27/h5-11,13-15,17,25H,4,12,16H2,1-3H3;5-6,8-11,18,27H,4,7H2,1-3H3/t17-;11-/m11/s1.

What are the key properties of 3-(difluoromethyl)-5-[(1-ethyl-3-methoxypyrazol-4-yl)methyl]-1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]pyrazole;(1R)-1-[2-[3-(difluoromethyl)-5-[(1-ethyl-3-methoxypyrazol-4-yl)methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol?

3-(difluoromethyl)-5-[(1-ethyl-3-methoxypyrazol-4-yl)methyl]-1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]pyrazole;(1R)-1-[2-[3-(difluoromethyl)-5-[(1-ethyl-3-methoxypyrazol-4-yl)methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol has a molecular weight of 878.92 g/mol, XLogP of 9.86, 17 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(difluoromethyl)-5-[(1-ethyl-3-methoxypyrazol-4-yl)methyl]-1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]pyrazole;(1R)-1-[2-[3-(difluoromethyl)-5-[(1-ethyl-3-methoxypyrazol-4-yl)methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol is sourced from PubChem (CID 164966501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).