N-(2,5-dimethylpyrazol-3-yl)-2,2,3,3-tetrafluoropropanamide

C8H9F4N3O — CID 103732998

IUPACN-(2,5-dimethylpyrazol-3-yl)-2,2,3,3-tetrafluoropropanamide
SMILESCc1cc(NC(=O)C(F)(F)C(F)F)n(C)n1
InChIInChI=1S/C8H9F4N3O/c1-4-3-5(15(2)14-4)13-7(16)8(11,12)6(9)10/h3,6H,1-2H3,(H,13,16)
InChIKeySLGGMWNXVODXOC-UHFFFAOYSA-N
MW239.17 g/mol
LogP1.57
Rot. Bonds3

About N-(2,5-dimethylpyrazol-3-yl)-2,2,3,3-tetrafluoropropanamide

N-(2,5-dimethylpyrazol-3-yl)-2,2,3,3-tetrafluoropropanamide (PubChem CID 103732998) has the molecular formula C8H9F4N3O and a molecular weight of 239.17 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2,2,3,3-tetrafluoropropanamide
PubChem CID103732998
Molecular FormulaC8H9F4N3O
Molecular Weight239.17 g/mol
Exact Mass239.07
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2,2,3,3-tetrafluoropropanamide
SMILESCc1cc(NC(=O)C(F)(F)C(F)F)n(C)n1
InChIInChI=1S/C8H9F4N3O/c1-4-3-5(15(2)14-4)13-7(16)8(11,12)6(9)10/h3,6H,1-2H3,(H,13,16)
InChIKeySLGGMWNXVODXOC-UHFFFAOYSA-N
XLogP1.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.17
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2,2,3,3-tetrafluoropropanamide (CID 103732998) is N-(2,5-dimethylpyrazol-3-yl)-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2,2,3,3-tetrafluoropropanamide is Cc1cc(NC(=O)C(F)(F)C(F)F)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2,2,3,3-tetrafluoropropanamide?
The InChIKey is SLGGMWNXVODXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F4N3O/c1-4-3-5(15(2)14-4)13-7(16)8(11,12)6(9)10/h3,6H,1-2H3,(H,13,16).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2,2,3,3-tetrafluoropropanamide?
N-(2,5-dimethylpyrazol-3-yl)-2,2,3,3-tetrafluoropropanamide has a molecular weight of 239.17 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 103732998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).