5-(2-chlorophenoxy)-4-(2,6-difluorophenyl)-1,3-dimethylpyrazole

C17H13ClF2N2O — CID 141279738

IUPAC5-(2-chlorophenoxy)-4-(2,6-difluorophenyl)-1,3-dimethylpyrazole
SMILESCc1nn(C)c(Oc2ccccc2Cl)c1-c1c(F)cccc1F
InChIInChI=1S/C17H13ClF2N2O/c1-10-15(16-12(19)7-5-8-13(16)20)17(22(2)21-10)23-14-9-4-3-6-11(14)18/h3-9H,1-2H3
InChIKeyHTOUJTSCNYQNKG-UHFFFAOYSA-N
MW334.75 g/mol
LogP5.12
Rot. Bonds3

About 5-(2-chlorophenoxy)-4-(2,6-difluorophenyl)-1,3-dimethylpyrazole

5-(2-chlorophenoxy)-4-(2,6-difluorophenyl)-1,3-dimethylpyrazole (PubChem CID 141279738) has the molecular formula C17H13ClF2N2O and a molecular weight of 334.75 g/mol. Its IUPAC name is 5-(2-chlorophenoxy)-4-(2,6-difluorophenyl)-1,3-dimethylpyrazole.

Molecular Properties

Compound Name5-(2-chlorophenoxy)-4-(2,6-difluorophenyl)-1,3-dimethylpyrazole
PubChem CID141279738
Molecular FormulaC17H13ClF2N2O
Molecular Weight334.75 g/mol
Exact Mass334.07
IUPAC Name5-(2-chlorophenoxy)-4-(2,6-difluorophenyl)-1,3-dimethylpyrazole
SMILESCc1nn(C)c(Oc2ccccc2Cl)c1-c1c(F)cccc1F
InChIInChI=1S/C17H13ClF2N2O/c1-10-15(16-12(19)7-5-8-13(16)20)17(22(2)21-10)23-14-9-4-3-6-11(14)18/h3-9H,1-2H3
InChIKeyHTOUJTSCNYQNKG-UHFFFAOYSA-N
XLogP5.12
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.75
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenoxy)-4-(2,6-difluorophenyl)-1,3-dimethylpyrazole?
The IUPAC name of 5-(2-chlorophenoxy)-4-(2,6-difluorophenyl)-1,3-dimethylpyrazole (CID 141279738) is 5-(2-chlorophenoxy)-4-(2,6-difluorophenyl)-1,3-dimethylpyrazole.
What is the SMILES notation for 5-(2-chlorophenoxy)-4-(2,6-difluorophenyl)-1,3-dimethylpyrazole?
The canonical SMILES for 5-(2-chlorophenoxy)-4-(2,6-difluorophenyl)-1,3-dimethylpyrazole is Cc1nn(C)c(Oc2ccccc2Cl)c1-c1c(F)cccc1F.
What is the InChIKey of 5-(2-chlorophenoxy)-4-(2,6-difluorophenyl)-1,3-dimethylpyrazole?
The InChIKey is HTOUJTSCNYQNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF2N2O/c1-10-15(16-12(19)7-5-8-13(16)20)17(22(2)21-10)23-14-9-4-3-6-11(14)18/h3-9H,1-2H3.
What are the key properties of 5-(2-chlorophenoxy)-4-(2,6-difluorophenyl)-1,3-dimethylpyrazole?
5-(2-chlorophenoxy)-4-(2,6-difluorophenyl)-1,3-dimethylpyrazole has a molecular weight of 334.75 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenoxy)-4-(2,6-difluorophenyl)-1,3-dimethylpyrazole is sourced from PubChem (CID 141279738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).