3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazole

C18H16ClFN2O2 — CID 164718836

IUPAC3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazole
SMILESCOc1ccc(COCc2cc(F)ccc2-n2ccc(Cl)n2)cc1
InChIInChI=1S/C18H16ClFN2O2/c1-23-16-5-2-13(3-6-16)11-24-12-14-10-15(20)4-7-17(14)22-9-8-18(19)21-22/h2-10H,11-12H2,1H3
InChIKeyUANBBDJLIVPNAW-UHFFFAOYSA-N
MW346.79 g/mol
LogP4.39
Rot. Bonds6

About 3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazole

3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazole (PubChem CID 164718836) has the molecular formula C18H16ClFN2O2 and a molecular weight of 346.79 g/mol. Its IUPAC name is 3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazole.

Molecular Properties

Compound Name3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazole
PubChem CID164718836
Molecular FormulaC18H16ClFN2O2
Molecular Weight346.79 g/mol
Exact Mass346.09
IUPAC Name3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazole
SMILESCOc1ccc(COCc2cc(F)ccc2-n2ccc(Cl)n2)cc1
InChIInChI=1S/C18H16ClFN2O2/c1-23-16-5-2-13(3-6-16)11-24-12-14-10-15(20)4-7-17(14)22-9-8-18(19)21-22/h2-10H,11-12H2,1H3
InChIKeyUANBBDJLIVPNAW-UHFFFAOYSA-N
XLogP4.39
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.79
LogP ≤ 54.39
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-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazole?
The IUPAC name of 3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazole (CID 164718836) is 3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazole.
What is the SMILES notation for 3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazole?
The canonical SMILES for 3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazole is COc1ccc(COCc2cc(F)ccc2-n2ccc(Cl)n2)cc1.
What is the InChIKey of 3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazole?
The InChIKey is UANBBDJLIVPNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O2/c1-23-16-5-2-13(3-6-16)11-24-12-14-10-15(20)4-7-17(14)22-9-8-18(19)21-22/h2-10H,11-12H2,1H3.
What are the key properties of 3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazole?
3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazole has a molecular weight of 346.79 g/mol, XLogP of 4.39, 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-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazole is sourced from PubChem (CID 164718836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).