N-(1,5-dimethylpyrazol-3-yl)-2,2,3,3,3-pentafluoropropanamide

C8H8F5N3O — CID 170408858

IUPACN-(1,5-dimethylpyrazol-3-yl)-2,2,3,3,3-pentafluoropropanamide
SMILESCc1cc(NC(=O)C(F)(F)C(F)(F)F)nn1C
InChIInChI=1S/C8H8F5N3O/c1-4-3-5(15-16(4)2)14-6(17)7(9,10)8(11,12)13/h3H,1-2H3,(H,14,15,17)
InChIKeyQJZZHFXIDNZWOA-UHFFFAOYSA-N
MW257.16 g/mol
LogP1.86
Rot. Bonds2

About N-(1,5-dimethylpyrazol-3-yl)-2,2,3,3,3-pentafluoropropanamide

N-(1,5-dimethylpyrazol-3-yl)-2,2,3,3,3-pentafluoropropanamide (PubChem CID 170408858) has the molecular formula C8H8F5N3O and a molecular weight of 257.16 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-3-yl)-2,2,3,3,3-pentafluoropropanamide.

Molecular Properties

Compound NameN-(1,5-dimethylpyrazol-3-yl)-2,2,3,3,3-pentafluoropropanamide
PubChem CID170408858
Molecular FormulaC8H8F5N3O
Molecular Weight257.16 g/mol
Exact Mass257.06
IUPAC NameN-(1,5-dimethylpyrazol-3-yl)-2,2,3,3,3-pentafluoropropanamide
SMILESCc1cc(NC(=O)C(F)(F)C(F)(F)F)nn1C
InChIInChI=1S/C8H8F5N3O/c1-4-3-5(15-16(4)2)14-6(17)7(9,10)8(11,12)13/h3H,1-2H3,(H,14,15,17)
InChIKeyQJZZHFXIDNZWOA-UHFFFAOYSA-N
XLogP1.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 51.86
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

Butanamide, N-(5-methyl-1H-pyrazol-3-yl)-
CID 5330971
2-Chloro-N-(1,5-dimethyl-1H-pyrazol-3-yl)-acetamide
CID 6485361
2-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-5-one
CID 135600432
2-[5-(ethylamino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 162676141
3-Trifluoroacetylamino-5-methylpyrazole
CID 15312520
N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 574162
N-(1-(tert-Butyl)-3-methyl-1H-pyrazol-5-yl)acetamide
CID 6621900
2,7-Dimethylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135420556
N-[1-(2-cyanoethyl)-3-methyl-1H-pyrazol-5-yl]acetamide
CID 45791474
2-chloro-N-(1,3-dimethyl-1H-pyrazol-5-yl)acetamide
CID 2778354
2-(5-Amino-3-methyl-1H-pyrazol-1-yl)-6-(trifluoromethyl)pyrimidin-4(3H)-one
CID 162645359
N-(2,5-Dimethyl-2H-pyrazol-3-yl)-2,2-dimethyl-propionamide
CID 2818790

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrazol-3-yl)-2,2,3,3,3-pentafluoropropanamide?
The IUPAC name of N-(1,5-dimethylpyrazol-3-yl)-2,2,3,3,3-pentafluoropropanamide (CID 170408858) is N-(1,5-dimethylpyrazol-3-yl)-2,2,3,3,3-pentafluoropropanamide.
What is the SMILES notation for N-(1,5-dimethylpyrazol-3-yl)-2,2,3,3,3-pentafluoropropanamide?
The canonical SMILES for N-(1,5-dimethylpyrazol-3-yl)-2,2,3,3,3-pentafluoropropanamide is Cc1cc(NC(=O)C(F)(F)C(F)(F)F)nn1C.
What is the InChIKey of N-(1,5-dimethylpyrazol-3-yl)-2,2,3,3,3-pentafluoropropanamide?
The InChIKey is QJZZHFXIDNZWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F5N3O/c1-4-3-5(15-16(4)2)14-6(17)7(9,10)8(11,12)13/h3H,1-2H3,(H,14,15,17).
What are the key properties of N-(1,5-dimethylpyrazol-3-yl)-2,2,3,3,3-pentafluoropropanamide?
N-(1,5-dimethylpyrazol-3-yl)-2,2,3,3,3-pentafluoropropanamide has a molecular weight of 257.16 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethylpyrazol-3-yl)-2,2,3,3,3-pentafluoropropanamide is sourced from PubChem (CID 170408858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).