N-[(2,5-dimethylpyrazol-3-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide

C10H10F7N3O — CID 19294300

IUPACN-[(2,5-dimethylpyrazol-3-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESCc1cc(CNC(=O)C(F)(F)C(F)(F)C(F)(F)F)n(C)n1
InChIInChI=1S/C10H10F7N3O/c1-5-3-6(20(2)19-5)4-18-7(21)8(11,12)9(13,14)10(15,16)17/h3H,4H2,1-2H3,(H,18,21)
InChIKeyNSOYJXVNLMCEGQ-UHFFFAOYSA-N
MW321.20 g/mol
LogP2.18
Rot. Bonds4

About N-[(2,5-dimethylpyrazol-3-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide

N-[(2,5-dimethylpyrazol-3-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide (PubChem CID 19294300) has the molecular formula C10H10F7N3O and a molecular weight of 321.20 g/mol. Its IUPAC name is N-[(2,5-dimethylpyrazol-3-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide.

Molecular Properties

Compound NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide
PubChem CID19294300
Molecular FormulaC10H10F7N3O
Molecular Weight321.20 g/mol
Exact Mass321.07
IUPAC NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESCc1cc(CNC(=O)C(F)(F)C(F)(F)C(F)(F)F)n(C)n1
InChIInChI=1S/C10H10F7N3O/c1-5-3-6(20(2)19-5)4-18-7(21)8(11,12)9(13,14)10(15,16)17/h3H,4H2,1-2H3,(H,18,21)
InChIKeyNSOYJXVNLMCEGQ-UHFFFAOYSA-N
XLogP2.18
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 52.18
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)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide?
The IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide (CID 19294300) is N-[(2,5-dimethylpyrazol-3-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide.
What is the SMILES notation for N-[(2,5-dimethylpyrazol-3-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide?
The canonical SMILES for N-[(2,5-dimethylpyrazol-3-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide is Cc1cc(CNC(=O)C(F)(F)C(F)(F)C(F)(F)F)n(C)n1.
What is the InChIKey of N-[(2,5-dimethylpyrazol-3-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide?
The InChIKey is NSOYJXVNLMCEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F7N3O/c1-5-3-6(20(2)19-5)4-18-7(21)8(11,12)9(13,14)10(15,16)17/h3H,4H2,1-2H3,(H,18,21).
What are the key properties of N-[(2,5-dimethylpyrazol-3-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide?
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide has a molecular weight of 321.20 g/mol, XLogP of 2.18, 4 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)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide is sourced from PubChem (CID 19294300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).