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

C19H18ClFN2O2 — CID 164718551

IUPAC3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole
SMILESCOc1ccc(CO[C@H](C)c2cc(F)ccc2-n2ccc(Cl)n2)cc1
InChIInChI=1S/C19H18ClFN2O2/c1-13(25-12-14-3-6-16(24-2)7-4-14)17-11-15(21)5-8-18(17)23-10-9-19(20)22-23/h3-11,13H,12H2,1-2H3/t13-/m1/s1
InChIKeyHUGVOHTVIPUJQJ-CYBMUJFWSA-N
MW360.82 g/mol
LogP4.95
Rot. Bonds6

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

3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole (PubChem CID 164718551) has the molecular formula C19H18ClFN2O2 and a molecular weight of 360.82 g/mol. Its IUPAC name is 3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole.

Molecular Properties

Compound Name3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole
PubChem CID164718551
Molecular FormulaC19H18ClFN2O2
Molecular Weight360.82 g/mol
Exact Mass360.10
IUPAC Name3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole
SMILESCOc1ccc(CO[C@H](C)c2cc(F)ccc2-n2ccc(Cl)n2)cc1
InChIInChI=1S/C19H18ClFN2O2/c1-13(25-12-14-3-6-16(24-2)7-4-14)17-11-15(21)5-8-18(17)23-10-9-19(20)22-23/h3-11,13H,12H2,1-2H3/t13-/m1/s1
InChIKeyHUGVOHTVIPUJQJ-CYBMUJFWSA-N
XLogP4.95
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole?
The IUPAC name of 3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole (CID 164718551) is 3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole.
What is the SMILES notation for 3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole?
The canonical SMILES for 3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole is COc1ccc(CO[C@H](C)c2cc(F)ccc2-n2ccc(Cl)n2)cc1.
What is the InChIKey of 3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole?
The InChIKey is HUGVOHTVIPUJQJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H18ClFN2O2/c1-13(25-12-14-3-6-16(24-2)7-4-14)17-11-15(21)5-8-18(17)23-10-9-19(20)22-23/h3-11,13H,12H2,1-2H3/t13-/m1/s1.
What are the key properties of 3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole?
3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole has a molecular weight of 360.82 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole is sourced from PubChem (CID 164718551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).