3,4-difluoro-5-methoxy-1-methylpyrazole

C5H6F2N2O — CID 174579646

IUPAC3,4-difluoro-5-methoxy-1-methylpyrazole
SMILESCOc1c(F)c(F)nn1C
InChIInChI=1S/C5H6F2N2O/c1-9-5(10-2)3(6)4(7)8-9/h1-2H3
InChIKeyBCHZZDIQAICORB-UHFFFAOYSA-N
MW148.11 g/mol
LogP0.71
Rot. Bonds1

About 3,4-difluoro-5-methoxy-1-methylpyrazole

3,4-difluoro-5-methoxy-1-methylpyrazole (PubChem CID 174579646) has the molecular formula C5H6F2N2O and a molecular weight of 148.11 g/mol. Its IUPAC name is 3,4-difluoro-5-methoxy-1-methylpyrazole.

Molecular Properties

Compound Name3,4-difluoro-5-methoxy-1-methylpyrazole
PubChem CID174579646
Molecular FormulaC5H6F2N2O
Molecular Weight148.11 g/mol
Exact Mass148.04
IUPAC Name3,4-difluoro-5-methoxy-1-methylpyrazole
SMILESCOc1c(F)c(F)nn1C
InChIInChI=1S/C5H6F2N2O/c1-9-5(10-2)3(6)4(7)8-9/h1-2H3
InChIKeyBCHZZDIQAICORB-UHFFFAOYSA-N
XLogP0.71
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.11
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-5-methoxy-1-methylpyrazole?
The IUPAC name of 3,4-difluoro-5-methoxy-1-methylpyrazole (CID 174579646) is 3,4-difluoro-5-methoxy-1-methylpyrazole.
What is the SMILES notation for 3,4-difluoro-5-methoxy-1-methylpyrazole?
The canonical SMILES for 3,4-difluoro-5-methoxy-1-methylpyrazole is COc1c(F)c(F)nn1C.
What is the InChIKey of 3,4-difluoro-5-methoxy-1-methylpyrazole?
The InChIKey is BCHZZDIQAICORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N2O/c1-9-5(10-2)3(6)4(7)8-9/h1-2H3.
What are the key properties of 3,4-difluoro-5-methoxy-1-methylpyrazole?
3,4-difluoro-5-methoxy-1-methylpyrazole has a molecular weight of 148.11 g/mol, XLogP of 0.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-5-methoxy-1-methylpyrazole is sourced from PubChem (CID 174579646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).