4-[4-fluoro-2-[2-(4-methoxyphenyl)ethyl]phenyl]-1-methylpyrazole

C19H19FN2O — CID 91392550

IUPAC4-[4-fluoro-2-[2-(4-methoxyphenyl)ethyl]phenyl]-1-methylpyrazole
SMILESCOc1ccc(CCc2cc(F)ccc2-c2cnn(C)c2)cc1
InChIInChI=1S/C19H19FN2O/c1-22-13-16(12-21-22)19-10-7-17(20)11-15(19)6-3-14-4-8-18(23-2)9-5-14/h4-5,7-13H,3,6H2,1-2H3
InChIKeyDGJNTVMYLFSRRN-UHFFFAOYSA-N
MW310.37 g/mol
LogP4.02
Rot. Bonds5

About 4-[4-fluoro-2-[2-(4-methoxyphenyl)ethyl]phenyl]-1-methylpyrazole

4-[4-fluoro-2-[2-(4-methoxyphenyl)ethyl]phenyl]-1-methylpyrazole (PubChem CID 91392550) has the molecular formula C19H19FN2O and a molecular weight of 310.37 g/mol. Its IUPAC name is 4-[4-fluoro-2-[2-(4-methoxyphenyl)ethyl]phenyl]-1-methylpyrazole.

Molecular Properties

Compound Name4-[4-fluoro-2-[2-(4-methoxyphenyl)ethyl]phenyl]-1-methylpyrazole
PubChem CID91392550
Molecular FormulaC19H19FN2O
Molecular Weight310.37 g/mol
Exact Mass310.15
IUPAC Name4-[4-fluoro-2-[2-(4-methoxyphenyl)ethyl]phenyl]-1-methylpyrazole
SMILESCOc1ccc(CCc2cc(F)ccc2-c2cnn(C)c2)cc1
InChIInChI=1S/C19H19FN2O/c1-22-13-16(12-21-22)19-10-7-17(20)11-15(19)6-3-14-4-8-18(23-2)9-5-14/h4-5,7-13H,3,6H2,1-2H3
InChIKeyDGJNTVMYLFSRRN-UHFFFAOYSA-N
XLogP4.02
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-fluoro-2-[2-(4-methoxyphenyl)ethyl]phenyl]-1-methylpyrazole?
The IUPAC name of 4-[4-fluoro-2-[2-(4-methoxyphenyl)ethyl]phenyl]-1-methylpyrazole (CID 91392550) is 4-[4-fluoro-2-[2-(4-methoxyphenyl)ethyl]phenyl]-1-methylpyrazole.
What is the SMILES notation for 4-[4-fluoro-2-[2-(4-methoxyphenyl)ethyl]phenyl]-1-methylpyrazole?
The canonical SMILES for 4-[4-fluoro-2-[2-(4-methoxyphenyl)ethyl]phenyl]-1-methylpyrazole is COc1ccc(CCc2cc(F)ccc2-c2cnn(C)c2)cc1.
What is the InChIKey of 4-[4-fluoro-2-[2-(4-methoxyphenyl)ethyl]phenyl]-1-methylpyrazole?
The InChIKey is DGJNTVMYLFSRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O/c1-22-13-16(12-21-22)19-10-7-17(20)11-15(19)6-3-14-4-8-18(23-2)9-5-14/h4-5,7-13H,3,6H2,1-2H3.
What are the key properties of 4-[4-fluoro-2-[2-(4-methoxyphenyl)ethyl]phenyl]-1-methylpyrazole?
4-[4-fluoro-2-[2-(4-methoxyphenyl)ethyl]phenyl]-1-methylpyrazole has a molecular weight of 310.37 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-fluoro-2-[2-(4-methoxyphenyl)ethyl]phenyl]-1-methylpyrazole is sourced from PubChem (CID 91392550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).