3-(difluoromethoxy)-1-methylpyrazole

C5H6F2N2O — CID 19424663

IUPAC3-(difluoromethoxy)-1-methylpyrazole
SMILESCn1ccc(OC(F)F)n1
InChIInChI=1S/C5H6F2N2O/c1-9-3-2-4(8-9)10-5(6)7/h2-3,5H,1H3
InChIKeyJABNNLRVQSAZBG-UHFFFAOYSA-N
MW148.11 g/mol
LogP1.02
Rot. Bonds2

About 3-(difluoromethoxy)-1-methylpyrazole

3-(difluoromethoxy)-1-methylpyrazole (PubChem CID 19424663) has the molecular formula C5H6F2N2O and a molecular weight of 148.11 g/mol. Its IUPAC name is 3-(difluoromethoxy)-1-methylpyrazole.

Molecular Properties

Compound Name3-(difluoromethoxy)-1-methylpyrazole
PubChem CID19424663
Molecular FormulaC5H6F2N2O
Molecular Weight148.11 g/mol
Exact Mass148.04
IUPAC Name3-(difluoromethoxy)-1-methylpyrazole
SMILESCn1ccc(OC(F)F)n1
InChIInChI=1S/C5H6F2N2O/c1-9-3-2-4(8-9)10-5(6)7/h2-3,5H,1H3
InChIKeyJABNNLRVQSAZBG-UHFFFAOYSA-N
XLogP1.02
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.11
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-1-methylpyrazole?
The IUPAC name of 3-(difluoromethoxy)-1-methylpyrazole (CID 19424663) is 3-(difluoromethoxy)-1-methylpyrazole.
What is the SMILES notation for 3-(difluoromethoxy)-1-methylpyrazole?
The canonical SMILES for 3-(difluoromethoxy)-1-methylpyrazole is Cn1ccc(OC(F)F)n1.
What is the InChIKey of 3-(difluoromethoxy)-1-methylpyrazole?
The InChIKey is JABNNLRVQSAZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N2O/c1-9-3-2-4(8-9)10-5(6)7/h2-3,5H,1H3.
What are the key properties of 3-(difluoromethoxy)-1-methylpyrazole?
3-(difluoromethoxy)-1-methylpyrazole has a molecular weight of 148.11 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-1-methylpyrazole is sourced from PubChem (CID 19424663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).