[1-(cyclopropylmethyl)triazol-4-yl]-[1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;(1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]-hydroxymethyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol

C46H46F8N10O5 — CID 165047807

About [1-(cyclopropylmethyl)triazol-4-yl]-[1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;(1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]-hydroxymethyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol

[1-(cyclopropylmethyl)triazol-4-yl]-[1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;(1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]-hydroxymethyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol (PubChem CID 165047807) has the molecular formula C46H46F8N10O5 and a molecular weight of 970.92 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)triazol-4-yl]-[1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;(1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]-hydroxymethyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol.

Molecular Properties

• Compound Name: [1-(cyclopropylmethyl)triazol-4-yl]-[1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;(1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]-hydroxymethyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol
• PubChem CID: 165047807
• Molecular Formula: C46H46F8N10O5
• Molecular Weight: 970.92 g/mol
• Exact Mass: 970.35
• IUPAC Name: [1-(cyclopropylmethyl)triazol-4-yl]-[1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;(1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]-hydroxymethyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol
• SMILES: COc1ccc(CO[C@H](C)c2cc(F)ccc2-n2nc(C(F)(F)F)cc2C(O)c2cn(CC3CC3)nn2)cc1.C[C@@H](O)c1cc(F)ccc1-n1nc(C(F)(F)F)cc1C(O)c1cn(CC2CC2)nn1
• InChI: InChI=1S/C27H27F4N5O3.C19H19F4N5O2/c1-16(39-15-18-5-8-20(38-2)9-6-18)21-11-19(28)7-10-23(21)36-24(12-25(33-36)27(29,30)31)26(37)22-14-35(34-32-22)13-17-3-4-17;1-10(29)13-6-12(20)4-5-15(13)28-16(7-17(25-28)19(21,22)23)18(30)14-9-27(26-24-14)8-11-2-3-11/h5-12,14,16-17,26,37H,3-4,13,15H2,1-2H3;4-7,9-11,18,29-30H,2-3,8H2,1H3/t16-,26?;10-,18?/m11/s1
• InChIKey: PEIYDVSWDSEXKY-IBLMMLFESA-N
• XLogP: 8.57
• TPSA: 176.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	970.92
LogP ≤ 5	8.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)triazol-4-yl]-[1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;(1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]-hydroxymethyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol?

The IUPAC name of [1-(cyclopropylmethyl)triazol-4-yl]-[1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;(1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]-hydroxymethyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol (CID 165047807) is [1-(cyclopropylmethyl)triazol-4-yl]-[1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;(1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]-hydroxymethyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol.

What is the SMILES notation for [1-(cyclopropylmethyl)triazol-4-yl]-[1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;(1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]-hydroxymethyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol?

The canonical SMILES for [1-(cyclopropylmethyl)triazol-4-yl]-[1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;(1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]-hydroxymethyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol is COc1ccc(CO[C@H](C)c2cc(F)ccc2-n2nc(C(F)(F)F)cc2C(O)c2cn(CC3CC3)nn2)cc1.C[C@@H](O)c1cc(F)ccc1-n1nc(C(F)(F)F)cc1C(O)c1cn(CC2CC2)nn1.

What is the InChIKey of [1-(cyclopropylmethyl)triazol-4-yl]-[1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;(1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]-hydroxymethyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol?

The InChIKey is PEIYDVSWDSEXKY-IBLMMLFESA-N. The full InChI is InChI=1S/C27H27F4N5O3.C19H19F4N5O2/c1-16(39-15-18-5-8-20(38-2)9-6-18)21-11-19(28)7-10-23(21)36-24(12-25(33-36)27(29,30)31)26(37)22-14-35(34-32-22)13-17-3-4-17;1-10(29)13-6-12(20)4-5-15(13)28-16(7-17(25-28)19(21,22)23)18(30)14-9-27(26-24-14)8-11-2-3-11/h5-12,14,16-17,26,37H,3-4,13,15H2,1-2H3;4-7,9-11,18,29-30H,2-3,8H2,1H3/t16-,26?;10-,18?/m11/s1.

What are the key properties of [1-(cyclopropylmethyl)triazol-4-yl]-[1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;(1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]-hydroxymethyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol?

[1-(cyclopropylmethyl)triazol-4-yl]-[1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;(1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]-hydroxymethyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol has a molecular weight of 970.92 g/mol, XLogP of 8.57, 16 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(cyclopropylmethyl)triazol-4-yl]-[1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;(1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]-hydroxymethyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol is sourced from PubChem (CID 165047807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).