3-(2,2-difluoroethoxy)-1-methylpyrazol-4-amine

C6H9F2N3O — CID 66509587

IUPAC3-(2,2-difluoroethoxy)-1-methylpyrazol-4-amine
SMILESCn1cc(N)c(OCC(F)F)n1
InChIInChI=1S/C6H9F2N3O/c1-11-2-4(9)6(10-11)12-3-5(7)8/h2,5H,3,9H2,1H3
InChIKeyGDZJWGYEDCHLBW-UHFFFAOYSA-N
MW177.15 g/mol
LogP0.65
Rot. Bonds3

About 3-(2,2-difluoroethoxy)-1-methylpyrazol-4-amine

3-(2,2-difluoroethoxy)-1-methylpyrazol-4-amine (PubChem CID 66509587) has the molecular formula C6H9F2N3O and a molecular weight of 177.15 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-methylpyrazol-4-amine
PubChem CID66509587
Molecular FormulaC6H9F2N3O
Molecular Weight177.15 g/mol
Exact Mass177.07
IUPAC Name3-(2,2-difluoroethoxy)-1-methylpyrazol-4-amine
SMILESCn1cc(N)c(OCC(F)F)n1
InChIInChI=1S/C6H9F2N3O/c1-11-2-4(9)6(10-11)12-3-5(7)8/h2,5H,3,9H2,1H3
InChIKeyGDZJWGYEDCHLBW-UHFFFAOYSA-N
XLogP0.65
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.15
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1-methylpyrazol-4-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-methylpyrazol-4-amine (CID 66509587) is 3-(2,2-difluoroethoxy)-1-methylpyrazol-4-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-methylpyrazol-4-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-methylpyrazol-4-amine is Cn1cc(N)c(OCC(F)F)n1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-methylpyrazol-4-amine?
The InChIKey is GDZJWGYEDCHLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3O/c1-11-2-4(9)6(10-11)12-3-5(7)8/h2,5H,3,9H2,1H3.
What are the key properties of 3-(2,2-difluoroethoxy)-1-methylpyrazol-4-amine?
3-(2,2-difluoroethoxy)-1-methylpyrazol-4-amine has a molecular weight of 177.15 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1-methylpyrazol-4-amine is sourced from PubChem (CID 66509587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).