5-[4-[2-(2,6-difluorophenyl)ethyl]-2-fluorophenyl]-1,3-dimethylpyrazole

C19H17F3N2 — CID 160813331

IUPAC5-[4-[2-(2,6-difluorophenyl)ethyl]-2-fluorophenyl]-1,3-dimethylpyrazole
SMILESCc1cc(-c2ccc(CCc3c(F)cccc3F)cc2F)n(C)n1
InChIInChI=1S/C19H17F3N2/c1-12-10-19(24(2)23-12)15-9-7-13(11-18(15)22)6-8-14-16(20)4-3-5-17(14)21/h3-5,7,9-11H,6,8H2,1-2H3
InChIKeyCLJKZMKXTWMMGZ-UHFFFAOYSA-N
MW330.35 g/mol
LogP4.60
Rot. Bonds4

About 5-[4-[2-(2,6-difluorophenyl)ethyl]-2-fluorophenyl]-1,3-dimethylpyrazole

5-[4-[2-(2,6-difluorophenyl)ethyl]-2-fluorophenyl]-1,3-dimethylpyrazole (PubChem CID 160813331) has the molecular formula C19H17F3N2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 5-[4-[2-(2,6-difluorophenyl)ethyl]-2-fluorophenyl]-1,3-dimethylpyrazole.

Molecular Properties

Compound Name5-[4-[2-(2,6-difluorophenyl)ethyl]-2-fluorophenyl]-1,3-dimethylpyrazole
PubChem CID160813331
Molecular FormulaC19H17F3N2
Molecular Weight330.35 g/mol
Exact Mass330.13
IUPAC Name5-[4-[2-(2,6-difluorophenyl)ethyl]-2-fluorophenyl]-1,3-dimethylpyrazole
SMILESCc1cc(-c2ccc(CCc3c(F)cccc3F)cc2F)n(C)n1
InChIInChI=1S/C19H17F3N2/c1-12-10-19(24(2)23-12)15-9-7-13(11-18(15)22)6-8-14-16(20)4-3-5-17(14)21/h3-5,7,9-11H,6,8H2,1-2H3
InChIKeyCLJKZMKXTWMMGZ-UHFFFAOYSA-N
XLogP4.60
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(2,6-difluorophenyl)ethyl]-2-fluorophenyl]-1,3-dimethylpyrazole?
The IUPAC name of 5-[4-[2-(2,6-difluorophenyl)ethyl]-2-fluorophenyl]-1,3-dimethylpyrazole (CID 160813331) is 5-[4-[2-(2,6-difluorophenyl)ethyl]-2-fluorophenyl]-1,3-dimethylpyrazole.
What is the SMILES notation for 5-[4-[2-(2,6-difluorophenyl)ethyl]-2-fluorophenyl]-1,3-dimethylpyrazole?
The canonical SMILES for 5-[4-[2-(2,6-difluorophenyl)ethyl]-2-fluorophenyl]-1,3-dimethylpyrazole is Cc1cc(-c2ccc(CCc3c(F)cccc3F)cc2F)n(C)n1.
What is the InChIKey of 5-[4-[2-(2,6-difluorophenyl)ethyl]-2-fluorophenyl]-1,3-dimethylpyrazole?
The InChIKey is CLJKZMKXTWMMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2/c1-12-10-19(24(2)23-12)15-9-7-13(11-18(15)22)6-8-14-16(20)4-3-5-17(14)21/h3-5,7,9-11H,6,8H2,1-2H3.
What are the key properties of 5-[4-[2-(2,6-difluorophenyl)ethyl]-2-fluorophenyl]-1,3-dimethylpyrazole?
5-[4-[2-(2,6-difluorophenyl)ethyl]-2-fluorophenyl]-1,3-dimethylpyrazole has a molecular weight of 330.35 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(2,6-difluorophenyl)ethyl]-2-fluorophenyl]-1,3-dimethylpyrazole is sourced from PubChem (CID 160813331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).