4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazole

C12H12F2N2O — CID 67135525

IUPAC4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazole
SMILESCOc1cc(F)c(-c2cn(C)nc2C)c(F)c1
InChIInChI=1S/C12H12F2N2O/c1-7-9(6-16(2)15-7)12-10(13)4-8(17-3)5-11(12)14/h4-6H,1-3H3
InChIKeyFMYWLWKXFVOJRM-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.68
Rot. Bonds2

About 4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazole

4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazole (PubChem CID 67135525) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is 4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazole.

Molecular Properties

Compound Name4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazole
PubChem CID67135525
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC Name4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazole
SMILESCOc1cc(F)c(-c2cn(C)nc2C)c(F)c1
InChIInChI=1S/C12H12F2N2O/c1-7-9(6-16(2)15-7)12-10(13)4-8(17-3)5-11(12)14/h4-6H,1-3H3
InChIKeyFMYWLWKXFVOJRM-UHFFFAOYSA-N
XLogP2.68
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazole?
The IUPAC name of 4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazole (CID 67135525) is 4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazole.
What is the SMILES notation for 4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazole?
The canonical SMILES for 4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazole is COc1cc(F)c(-c2cn(C)nc2C)c(F)c1.
What is the InChIKey of 4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazole?
The InChIKey is FMYWLWKXFVOJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O/c1-7-9(6-16(2)15-7)12-10(13)4-8(17-3)5-11(12)14/h4-6H,1-3H3.
What are the key properties of 4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazole?
4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazole has a molecular weight of 238.24 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazole is sourced from PubChem (CID 67135525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).