N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide

C10H10F7N3O — CID 19288477

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESCc1nn(C)cc1CNC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H10F7N3O/c1-5-6(4-20(2)19-5)3-18-7(21)8(11,12)9(13,14)10(15,16)17/h4H,3H2,1-2H3,(H,18,21)
InChIKeyPWYGUZDBWNOACQ-UHFFFAOYSA-N
MW321.20 g/mol
LogP2.18
Rot. Bonds4

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide

N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide (PubChem CID 19288477) has the molecular formula C10H10F7N3O and a molecular weight of 321.20 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide
PubChem CID19288477
Molecular FormulaC10H10F7N3O
Molecular Weight321.20 g/mol
Exact Mass321.07
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESCc1nn(C)cc1CNC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H10F7N3O/c1-5-6(4-20(2)19-5)3-18-7(21)8(11,12)9(13,14)10(15,16)17/h4H,3H2,1-2H3,(H,18,21)
InChIKeyPWYGUZDBWNOACQ-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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Related Compounds

3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 46928351
2,2-dibromo-N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-1-methylcyclopropanecarboxamide
CID 3645007
2,2-dichloro-N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-1-methylcyclopropanecarboxamide
CID 4550191
N'-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methylene]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanohydrazide
CID 9661298
N'-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methylene]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanohydrazide
CID 9658709
4-{[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]amino}-4-oxobutanoic acid
CID 841483
N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanohydrazide
CID 9622524
2,2-dichloro-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1-methylcyclopropanecarboxamide
CID 4433988
N-[3-[methyl(propan-2-yl)amino]propyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 53560643
2-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-sulfanylethyl)propanamide
CID 177679702
2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-sulfanylethyl)acetamide
CID 177679799
1-ethyl-N-(2-sulfanylethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 177680431

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide (CID 19288477) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide is Cc1nn(C)cc1CNC(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide?
The InChIKey is PWYGUZDBWNOACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F7N3O/c1-5-6(4-20(2)19-5)3-18-7(21)8(11,12)9(13,14)10(15,16)17/h4H,3H2,1-2H3,(H,18,21).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide?
N-[(1,3-dimethylpyrazol-4-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-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide is sourced from PubChem (CID 19288477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).