1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazole

C20H18F4N2O2 — CID 164718610

IUPAC1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazole
SMILESCOc1ccc(CO[C@H](C)c2cc(F)ccc2-n2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C20H18F4N2O2/c1-13(28-12-14-3-6-16(27-2)7-4-14)17-11-15(21)5-8-18(17)26-10-9-19(25-26)20(22,23)24/h3-11,13H,12H2,1-2H3/t13-/m1/s1
InChIKeyWRZGPRIVDRSXDH-CYBMUJFWSA-N
MW394.37 g/mol
LogP5.32
Rot. Bonds6

About 1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazole

1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazole (PubChem CID 164718610) has the molecular formula C20H18F4N2O2 and a molecular weight of 394.37 g/mol. Its IUPAC name is 1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazole
PubChem CID164718610
Molecular FormulaC20H18F4N2O2
Molecular Weight394.37 g/mol
Exact Mass394.13
IUPAC Name1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazole
SMILESCOc1ccc(CO[C@H](C)c2cc(F)ccc2-n2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C20H18F4N2O2/c1-13(28-12-14-3-6-16(27-2)7-4-14)17-11-15(21)5-8-18(17)26-10-9-19(25-26)20(22,23)24/h3-11,13H,12H2,1-2H3/t13-/m1/s1
InChIKeyWRZGPRIVDRSXDH-CYBMUJFWSA-N
XLogP5.32
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.37
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazole (CID 164718610) is 1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazole is COc1ccc(CO[C@H](C)c2cc(F)ccc2-n2ccc(C(F)(F)F)n2)cc1.
What is the InChIKey of 1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazole?
The InChIKey is WRZGPRIVDRSXDH-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H18F4N2O2/c1-13(28-12-14-3-6-16(27-2)7-4-14)17-11-15(21)5-8-18(17)26-10-9-19(25-26)20(22,23)24/h3-11,13H,12H2,1-2H3/t13-/m1/s1.
What are the key properties of 1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazole?
1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazole has a molecular weight of 394.37 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 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)pyrazole is sourced from PubChem (CID 164718610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).