[1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]-(2H-triazol-4-yl)methanol

C23H21F4N5O3 — CID 164719167

About [1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]-(2H-triazol-4-yl)methanol

[1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]-(2H-triazol-4-yl)methanol (PubChem CID 164719167) has the molecular formula C23H21F4N5O3 and a molecular weight of 491.45 g/mol. Its IUPAC name is [1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]-(2H-triazol-4-yl)methanol.

Molecular Properties

• Compound Name: [1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]-(2H-triazol-4-yl)methanol
• PubChem CID: 164719167
• Molecular Formula: C23H21F4N5O3
• Molecular Weight: 491.45 g/mol
• Exact Mass: 491.16
• IUPAC Name: [1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]-(2H-triazol-4-yl)methanol
• SMILES: COc1ccc(CO[C@H](C)c2cc(F)ccc2-n2nc(C(F)(F)F)cc2C(O)c2cn[nH]n2)cc1
• InChI: InChI=1S/C23H21F4N5O3/c1-13(35-12-14-3-6-16(34-2)7-4-14)17-9-15(24)5-8-19(17)32-20(10-21(30-32)23(25,26)27)22(33)18-11-28-31-29-18/h3-11,13,22,33H,12H2,1-2H3,(H,28,29,31)/t13-,22?/m1/s1
• InChIKey: MNWJLYGMENEUOM-BXWDTWGJSA-N
• XLogP: 4.52
• TPSA: 98.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.45
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of [1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]-(2H-triazol-4-yl)methanol (CID 164719167) is [1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]-(2H-triazol-4-yl)methanol.

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

The canonical SMILES for [1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]-(2H-triazol-4-yl)methanol is COc1ccc(CO[C@H](C)c2cc(F)ccc2-n2nc(C(F)(F)F)cc2C(O)c2cn[nH]n2)cc1.

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

The InChIKey is MNWJLYGMENEUOM-BXWDTWGJSA-N. The full InChI is InChI=1S/C23H21F4N5O3/c1-13(35-12-14-3-6-16(34-2)7-4-14)17-9-15(24)5-8-19(17)32-20(10-21(30-32)23(25,26)27)22(33)18-11-28-31-29-18/h3-11,13,22,33H,12H2,1-2H3,(H,28,29,31)/t13-,22?/m1/s1.

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

[1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]-(2H-triazol-4-yl)methanol has a molecular weight of 491.45 g/mol, XLogP of 4.52, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]-(2H-triazol-4-yl)methanol is sourced from PubChem (CID 164719167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).