2,2,3,3,4,4,4-heptafluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butanamide

C11H12F7N3O — CID 19282271

IUPAC2,2,3,3,4,4,4-heptafluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butanamide
SMILESCc1nn(C)c(C)c1CNC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H12F7N3O/c1-5-7(6(2)21(3)20-5)4-19-8(22)9(12,13)10(14,15)11(16,17)18/h4H2,1-3H3,(H,19,22)
InChIKeyHDGQYXWMKDXOGE-UHFFFAOYSA-N
MW335.22 g/mol
LogP2.49
Rot. Bonds4

About 2,2,3,3,4,4,4-heptafluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butanamide

2,2,3,3,4,4,4-heptafluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butanamide (PubChem CID 19282271) has the molecular formula C11H12F7N3O and a molecular weight of 335.22 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butanamide
PubChem CID19282271
Molecular FormulaC11H12F7N3O
Molecular Weight335.22 g/mol
Exact Mass335.09
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butanamide
SMILESCc1nn(C)c(C)c1CNC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H12F7N3O/c1-5-7(6(2)21(3)20-5)4-19-8(22)9(12,13)10(14,15)11(16,17)18/h4H2,1-3H3,(H,19,22)
InChIKeyHDGQYXWMKDXOGE-UHFFFAOYSA-N
XLogP2.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N'-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylene]heptanohydrazide
CID 9678936
N'-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylene]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanohydrazide
CID 9661485
N-[3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47018724
N'-[(1-Ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylene]perfluoroheptanohydrazide
CID 3253295
N'-[(1,3,5-Trimethyl-1H-pyrazol-4-yl)methylene]perfluoroheptanohydrazide
CID 4607499
N,N-diethyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 45862482
N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropanecarboxamide
CID 47452820
N-isobutyl-1-isopropyl-5-methyl-3-(trifluoromethyl
CID 49670283
N-(2,2,2-trifluoroethyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide
CID 49670390
N-isopentyl-1-isopropyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 49675662
N-cyclopentyl-1-isopropyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 49675665
N-ethyl-5-methyl-1-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 49675759

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butanamide (CID 19282271) is 2,2,3,3,4,4,4-heptafluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butanamide is Cc1nn(C)c(C)c1CNC(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butanamide?
The InChIKey is HDGQYXWMKDXOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F7N3O/c1-5-7(6(2)21(3)20-5)4-19-8(22)9(12,13)10(14,15)11(16,17)18/h4H2,1-3H3,(H,19,22).
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butanamide?
2,2,3,3,4,4,4-heptafluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butanamide has a molecular weight of 335.22 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,4-heptafluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butanamide is sourced from PubChem (CID 19282271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).