3-(2,2-difluoroethoxy)-N,1-dimethylpyrazole-5-carboxamide

C8H11F2N3O2 — CID 170127334

IUPAC3-(2,2-difluoroethoxy)-N,1-dimethylpyrazole-5-carboxamide
SMILESCNC(=O)c1cc(OCC(F)F)nn1C
InChIInChI=1S/C8H11F2N3O2/c1-11-8(14)5-3-7(12-13(5)2)15-4-6(9)10/h3,6H,4H2,1-2H3,(H,11,14)
InChIKeyQXAGZPMPBAIDKZ-UHFFFAOYSA-N
MW219.19 g/mol
LogP0.42
Rot. Bonds4

About 3-(2,2-difluoroethoxy)-N,1-dimethylpyrazole-5-carboxamide

3-(2,2-difluoroethoxy)-N,1-dimethylpyrazole-5-carboxamide (PubChem CID 170127334) has the molecular formula C8H11F2N3O2 and a molecular weight of 219.19 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N,1-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N,1-dimethylpyrazole-5-carboxamide
PubChem CID170127334
Molecular FormulaC8H11F2N3O2
Molecular Weight219.19 g/mol
Exact Mass219.08
IUPAC Name3-(2,2-difluoroethoxy)-N,1-dimethylpyrazole-5-carboxamide
SMILESCNC(=O)c1cc(OCC(F)F)nn1C
InChIInChI=1S/C8H11F2N3O2/c1-11-8(14)5-3-7(12-13(5)2)15-4-6(9)10/h3,6H,4H2,1-2H3,(H,11,14)
InChIKeyQXAGZPMPBAIDKZ-UHFFFAOYSA-N
XLogP0.42
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 50.42
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)-N,1-dimethylpyrazole-5-carboxamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N,1-dimethylpyrazole-5-carboxamide (CID 170127334) is 3-(2,2-difluoroethoxy)-N,1-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N,1-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N,1-dimethylpyrazole-5-carboxamide is CNC(=O)c1cc(OCC(F)F)nn1C.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N,1-dimethylpyrazole-5-carboxamide?
The InChIKey is QXAGZPMPBAIDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O2/c1-11-8(14)5-3-7(12-13(5)2)15-4-6(9)10/h3,6H,4H2,1-2H3,(H,11,14).
What are the key properties of 3-(2,2-difluoroethoxy)-N,1-dimethylpyrazole-5-carboxamide?
3-(2,2-difluoroethoxy)-N,1-dimethylpyrazole-5-carboxamide has a molecular weight of 219.19 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N,1-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 170127334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).