5-fluoro-N,1-dimethylpyrazole-4-carboxamide

C6H8FN3O — CID 141441037

IUPAC5-fluoro-N,1-dimethylpyrazole-4-carboxamide
SMILESCNC(=O)c1cnn(C)c1F
InChIInChI=1S/C6H8FN3O/c1-8-6(11)4-3-9-10(2)5(4)7/h3H,1-2H3,(H,8,11)
InChIKeyKWVVJQDGPGUDRD-UHFFFAOYSA-N
MW157.15 g/mol
LogP-0.08
Rot. Bonds1

About 5-fluoro-N,1-dimethylpyrazole-4-carboxamide

5-fluoro-N,1-dimethylpyrazole-4-carboxamide (PubChem CID 141441037) has the molecular formula C6H8FN3O and a molecular weight of 157.15 g/mol. Its IUPAC name is 5-fluoro-N,1-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-fluoro-N,1-dimethylpyrazole-4-carboxamide
PubChem CID141441037
Molecular FormulaC6H8FN3O
Molecular Weight157.15 g/mol
Exact Mass157.07
IUPAC Name5-fluoro-N,1-dimethylpyrazole-4-carboxamide
SMILESCNC(=O)c1cnn(C)c1F
InChIInChI=1S/C6H8FN3O/c1-8-6(11)4-3-9-10(2)5(4)7/h3H,1-2H3,(H,8,11)
InChIKeyKWVVJQDGPGUDRD-UHFFFAOYSA-N
XLogP-0.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.15
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,1-dimethylpyrazole-4-carboxamide?
The IUPAC name of 5-fluoro-N,1-dimethylpyrazole-4-carboxamide (CID 141441037) is 5-fluoro-N,1-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 5-fluoro-N,1-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 5-fluoro-N,1-dimethylpyrazole-4-carboxamide is CNC(=O)c1cnn(C)c1F.
What is the InChIKey of 5-fluoro-N,1-dimethylpyrazole-4-carboxamide?
The InChIKey is KWVVJQDGPGUDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN3O/c1-8-6(11)4-3-9-10(2)5(4)7/h3H,1-2H3,(H,8,11).
What are the key properties of 5-fluoro-N,1-dimethylpyrazole-4-carboxamide?
5-fluoro-N,1-dimethylpyrazole-4-carboxamide has a molecular weight of 157.15 g/mol, XLogP of -0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,1-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 141441037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).