2-(5-fluoro-1,3-dimethylpyrazol-4-yl)acetamide

C7H10FN3O — CID 139844159

IUPAC2-(5-fluoro-1,3-dimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(F)c1CC(N)=O
InChIInChI=1S/C7H10FN3O/c1-4-5(3-6(9)12)7(8)11(2)10-4/h3H2,1-2H3,(H2,9,12)
InChIKeyPWUANYYKQUBUAB-UHFFFAOYSA-N
MW171.17 g/mol
LogP-0.10
Rot. Bonds2

About 2-(5-fluoro-1,3-dimethylpyrazol-4-yl)acetamide

2-(5-fluoro-1,3-dimethylpyrazol-4-yl)acetamide (PubChem CID 139844159) has the molecular formula C7H10FN3O and a molecular weight of 171.17 g/mol. Its IUPAC name is 2-(5-fluoro-1,3-dimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(5-fluoro-1,3-dimethylpyrazol-4-yl)acetamide
PubChem CID139844159
Molecular FormulaC7H10FN3O
Molecular Weight171.17 g/mol
Exact Mass171.08
IUPAC Name2-(5-fluoro-1,3-dimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(F)c1CC(N)=O
InChIInChI=1S/C7H10FN3O/c1-4-5(3-6(9)12)7(8)11(2)10-4/h3H2,1-2H3,(H2,9,12)
InChIKeyPWUANYYKQUBUAB-UHFFFAOYSA-N
XLogP-0.10
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.17
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1,3-dimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(5-fluoro-1,3-dimethylpyrazol-4-yl)acetamide (CID 139844159) is 2-(5-fluoro-1,3-dimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(5-fluoro-1,3-dimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(5-fluoro-1,3-dimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(F)c1CC(N)=O.
What is the InChIKey of 2-(5-fluoro-1,3-dimethylpyrazol-4-yl)acetamide?
The InChIKey is PWUANYYKQUBUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O/c1-4-5(3-6(9)12)7(8)11(2)10-4/h3H2,1-2H3,(H2,9,12).
What are the key properties of 2-(5-fluoro-1,3-dimethylpyrazol-4-yl)acetamide?
2-(5-fluoro-1,3-dimethylpyrazol-4-yl)acetamide has a molecular weight of 171.17 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1,3-dimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 139844159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).