5-(2,6-difluorophenyl)-1,3-dimethylpyrazole

C11H10F2N2 — CID 66614304

IUPAC5-(2,6-difluorophenyl)-1,3-dimethylpyrazole
SMILESCc1cc(-c2c(F)cccc2F)n(C)n1
InChIInChI=1S/C11H10F2N2/c1-7-6-10(15(2)14-7)11-8(12)4-3-5-9(11)13/h3-6H,1-2H3
InChIKeyASIGOMXXSWNLLX-UHFFFAOYSA-N
MW208.21 g/mol
LogP2.67
Rot. Bonds1

About 5-(2,6-difluorophenyl)-1,3-dimethylpyrazole

5-(2,6-difluorophenyl)-1,3-dimethylpyrazole (PubChem CID 66614304) has the molecular formula C11H10F2N2 and a molecular weight of 208.21 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-1,3-dimethylpyrazole.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-1,3-dimethylpyrazole
PubChem CID66614304
Molecular FormulaC11H10F2N2
Molecular Weight208.21 g/mol
Exact Mass208.08
IUPAC Name5-(2,6-difluorophenyl)-1,3-dimethylpyrazole
SMILESCc1cc(-c2c(F)cccc2F)n(C)n1
InChIInChI=1S/C11H10F2N2/c1-7-6-10(15(2)14-7)11-8(12)4-3-5-9(11)13/h3-6H,1-2H3
InChIKeyASIGOMXXSWNLLX-UHFFFAOYSA-N
XLogP2.67
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)-1,3-dimethylpyrazole?
The IUPAC name of 5-(2,6-difluorophenyl)-1,3-dimethylpyrazole (CID 66614304) is 5-(2,6-difluorophenyl)-1,3-dimethylpyrazole.
What is the SMILES notation for 5-(2,6-difluorophenyl)-1,3-dimethylpyrazole?
The canonical SMILES for 5-(2,6-difluorophenyl)-1,3-dimethylpyrazole is Cc1cc(-c2c(F)cccc2F)n(C)n1.
What is the InChIKey of 5-(2,6-difluorophenyl)-1,3-dimethylpyrazole?
The InChIKey is ASIGOMXXSWNLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2/c1-7-6-10(15(2)14-7)11-8(12)4-3-5-9(11)13/h3-6H,1-2H3.
What are the key properties of 5-(2,6-difluorophenyl)-1,3-dimethylpyrazole?
5-(2,6-difluorophenyl)-1,3-dimethylpyrazole has a molecular weight of 208.21 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)-1,3-dimethylpyrazole is sourced from PubChem (CID 66614304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).