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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Related Compounds

2-(trimethyl-1H-pyrazol-4-yl)acetamide
CID 41031989
N,N-diethyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 45862482
N-methoxy-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 45862504
2,5-dimethyl-4-trifluoromethyl-2H-pyrazole-3-carboxylic acid amide
CID 57574505
1,4-Dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 121456565
2,4-Dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 141469888
2-[3-(Difluoromethyl)-1-methylpyrazol-4-yl]acetamide
CID 152381895
2-(1-(Difluoromethyl)-3,5-dimethyl-1H-pyrazol-4-yl)acetaldehyde
CID 155103499
3,5-Bis(fluoromethyl)-1-methylpyrazole-4-carboxamide
CID 161701577
4-Fluoro-1,3-dimethylpyrazole-5-carboxamide
CID 174947483
2-(3-Fluoro-1,4-dimethylpyrazol-5-yl)acetamide
CID 178822849
2-(3-fluoro-1,4-dimethylpyrazol-5-yl)-N-methylacetamide
CID 178823414

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).