2,2-difluoro-N-(5-methoxy-1-methylpyrazol-3-yl)acetamide

C7H9F2N3O2 — CID 126973542

IUPAC2,2-difluoro-N-(5-methoxy-1-methylpyrazol-3-yl)acetamide
SMILESCOc1cc(NC(=O)C(F)F)nn1C
InChIInChI=1S/C7H9F2N3O2/c1-12-5(14-2)3-4(11-12)10-7(13)6(8)9/h3,6H,1-2H3,(H,10,11,13)
InChIKeyZJTKCHREYJFUPH-UHFFFAOYSA-N
MW205.16 g/mol
LogP0.63
Rot. Bonds3

About 2,2-difluoro-N-(5-methoxy-1-methylpyrazol-3-yl)acetamide

2,2-difluoro-N-(5-methoxy-1-methylpyrazol-3-yl)acetamide (PubChem CID 126973542) has the molecular formula C7H9F2N3O2 and a molecular weight of 205.16 g/mol. Its IUPAC name is 2,2-difluoro-N-(5-methoxy-1-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(5-methoxy-1-methylpyrazol-3-yl)acetamide
PubChem CID126973542
Molecular FormulaC7H9F2N3O2
Molecular Weight205.16 g/mol
Exact Mass205.07
IUPAC Name2,2-difluoro-N-(5-methoxy-1-methylpyrazol-3-yl)acetamide
SMILESCOc1cc(NC(=O)C(F)F)nn1C
InChIInChI=1S/C7H9F2N3O2/c1-12-5(14-2)3-4(11-12)10-7(13)6(8)9/h3,6H,1-2H3,(H,10,11,13)
InChIKeyZJTKCHREYJFUPH-UHFFFAOYSA-N
XLogP0.63
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.16
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(5-methoxy-1-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2,2-difluoro-N-(5-methoxy-1-methylpyrazol-3-yl)acetamide (CID 126973542) is 2,2-difluoro-N-(5-methoxy-1-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(5-methoxy-1-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(5-methoxy-1-methylpyrazol-3-yl)acetamide is COc1cc(NC(=O)C(F)F)nn1C.
What is the InChIKey of 2,2-difluoro-N-(5-methoxy-1-methylpyrazol-3-yl)acetamide?
The InChIKey is ZJTKCHREYJFUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O2/c1-12-5(14-2)3-4(11-12)10-7(13)6(8)9/h3,6H,1-2H3,(H,10,11,13).
What are the key properties of 2,2-difluoro-N-(5-methoxy-1-methylpyrazol-3-yl)acetamide?
2,2-difluoro-N-(5-methoxy-1-methylpyrazol-3-yl)acetamide has a molecular weight of 205.16 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(5-methoxy-1-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 126973542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).