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

C19H19FN2O2 — CID 164718730

IUPAC1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole
SMILESCOc1ccc(CO[C@H](C)c2cc(F)ccc2-n2cccn2)cc1
InChIInChI=1S/C19H19FN2O2/c1-14(24-13-15-4-7-17(23-2)8-5-15)18-12-16(20)6-9-19(18)22-11-3-10-21-22/h3-12,14H,13H2,1-2H3/t14-/m1/s1
InChIKeyWEROBXNOJQLFIF-CQSZACIVSA-N
MW326.37 g/mol
LogP4.30
Rot. Bonds6

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

1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole (PubChem CID 164718730) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole.

Molecular Properties

Compound Name1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole
PubChem CID164718730
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole
SMILESCOc1ccc(CO[C@H](C)c2cc(F)ccc2-n2cccn2)cc1
InChIInChI=1S/C19H19FN2O2/c1-14(24-13-15-4-7-17(23-2)8-5-15)18-12-16(20)6-9-19(18)22-11-3-10-21-22/h3-12,14H,13H2,1-2H3/t14-/m1/s1
InChIKeyWEROBXNOJQLFIF-CQSZACIVSA-N
XLogP4.30
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 54.30
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]pyrazole?
The IUPAC name of 1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole (CID 164718730) is 1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole.
What is the SMILES notation for 1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole?
The canonical SMILES for 1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole is COc1ccc(CO[C@H](C)c2cc(F)ccc2-n2cccn2)cc1.
What is the InChIKey of 1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole?
The InChIKey is WEROBXNOJQLFIF-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-14(24-13-15-4-7-17(23-2)8-5-15)18-12-16(20)6-9-19(18)22-11-3-10-21-22/h3-12,14H,13H2,1-2H3/t14-/m1/s1.
What are the key properties of 1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole?
1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole has a molecular weight of 326.37 g/mol, XLogP of 4.30, 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]pyrazole is sourced from PubChem (CID 164718730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).