3-(difluoromethoxy)-N,1-dimethylpyrazol-4-amine

C6H9F2N3O — CID 138481082

IUPAC3-(difluoromethoxy)-N,1-dimethylpyrazol-4-amine
SMILESCNc1cn(C)nc1OC(F)F
InChIInChI=1S/C6H9F2N3O/c1-9-4-3-11(2)10-5(4)12-6(7)8/h3,6,9H,1-2H3
InChIKeyGESRHSTUJGDJIV-UHFFFAOYSA-N
MW177.15 g/mol
LogP1.06
Rot. Bonds3

About 3-(difluoromethoxy)-N,1-dimethylpyrazol-4-amine

3-(difluoromethoxy)-N,1-dimethylpyrazol-4-amine (PubChem CID 138481082) has the molecular formula C6H9F2N3O and a molecular weight of 177.15 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N,1-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name3-(difluoromethoxy)-N,1-dimethylpyrazol-4-amine
PubChem CID138481082
Molecular FormulaC6H9F2N3O
Molecular Weight177.15 g/mol
Exact Mass177.07
IUPAC Name3-(difluoromethoxy)-N,1-dimethylpyrazol-4-amine
SMILESCNc1cn(C)nc1OC(F)F
InChIInChI=1S/C6H9F2N3O/c1-9-4-3-11(2)10-5(4)12-6(7)8/h3,6,9H,1-2H3
InChIKeyGESRHSTUJGDJIV-UHFFFAOYSA-N
XLogP1.06
TPSA39.08 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 ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N,1-dimethylpyrazol-4-amine?
The IUPAC name of 3-(difluoromethoxy)-N,1-dimethylpyrazol-4-amine (CID 138481082) is 3-(difluoromethoxy)-N,1-dimethylpyrazol-4-amine.
What is the SMILES notation for 3-(difluoromethoxy)-N,1-dimethylpyrazol-4-amine?
The canonical SMILES for 3-(difluoromethoxy)-N,1-dimethylpyrazol-4-amine is CNc1cn(C)nc1OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)-N,1-dimethylpyrazol-4-amine?
The InChIKey is GESRHSTUJGDJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3O/c1-9-4-3-11(2)10-5(4)12-6(7)8/h3,6,9H,1-2H3.
What are the key properties of 3-(difluoromethoxy)-N,1-dimethylpyrazol-4-amine?
3-(difluoromethoxy)-N,1-dimethylpyrazol-4-amine has a molecular weight of 177.15 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N,1-dimethylpyrazol-4-amine is sourced from PubChem (CID 138481082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).