1-(2,6-difluorophenyl)-4-methoxypyrazole

C10H8F2N2O — CID 141388965

IUPAC1-(2,6-difluorophenyl)-4-methoxypyrazole
SMILESCOc1cnn(-c2c(F)cccc2F)c1
InChIInChI=1S/C10H8F2N2O/c1-15-7-5-13-14(6-7)10-8(11)3-2-4-9(10)12/h2-6H,1H3
InChIKeyZHPCDIOLABTYRU-UHFFFAOYSA-N
MW210.18 g/mol
LogP2.16
Rot. Bonds2

About 1-(2,6-difluorophenyl)-4-methoxypyrazole

1-(2,6-difluorophenyl)-4-methoxypyrazole (PubChem CID 141388965) has the molecular formula C10H8F2N2O and a molecular weight of 210.18 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-4-methoxypyrazole.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-4-methoxypyrazole
PubChem CID141388965
Molecular FormulaC10H8F2N2O
Molecular Weight210.18 g/mol
Exact Mass210.06
IUPAC Name1-(2,6-difluorophenyl)-4-methoxypyrazole
SMILESCOc1cnn(-c2c(F)cccc2F)c1
InChIInChI=1S/C10H8F2N2O/c1-15-7-5-13-14(6-7)10-8(11)3-2-4-9(10)12/h2-6H,1H3
InChIKeyZHPCDIOLABTYRU-UHFFFAOYSA-N
XLogP2.16
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-4-methoxypyrazole?
The IUPAC name of 1-(2,6-difluorophenyl)-4-methoxypyrazole (CID 141388965) is 1-(2,6-difluorophenyl)-4-methoxypyrazole.
What is the SMILES notation for 1-(2,6-difluorophenyl)-4-methoxypyrazole?
The canonical SMILES for 1-(2,6-difluorophenyl)-4-methoxypyrazole is COc1cnn(-c2c(F)cccc2F)c1.
What is the InChIKey of 1-(2,6-difluorophenyl)-4-methoxypyrazole?
The InChIKey is ZHPCDIOLABTYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O/c1-15-7-5-13-14(6-7)10-8(11)3-2-4-9(10)12/h2-6H,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-4-methoxypyrazole?
1-(2,6-difluorophenyl)-4-methoxypyrazole has a molecular weight of 210.18 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-4-methoxypyrazole is sourced from PubChem (CID 141388965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).