N-(4-ethyl-1H-pyrazol-5-yl)-2,2,3,3-tetrafluoropropanamide

C8H9F4N3O — CID 103944434

IUPACN-(4-ethyl-1H-pyrazol-5-yl)-2,2,3,3-tetrafluoropropanamide
SMILESCCc1cn[nH]c1NC(=O)C(F)(F)C(F)F
InChIInChI=1S/C8H9F4N3O/c1-2-4-3-13-15-5(4)14-7(16)8(11,12)6(9)10/h3,6H,2H2,1H3,(H2,13,14,15,16)
InChIKeyBBKINGANSIYGAT-UHFFFAOYSA-N
MW239.17 g/mol
LogP1.81
Rot. Bonds4

About N-(4-ethyl-1H-pyrazol-5-yl)-2,2,3,3-tetrafluoropropanamide

N-(4-ethyl-1H-pyrazol-5-yl)-2,2,3,3-tetrafluoropropanamide (PubChem CID 103944434) has the molecular formula C8H9F4N3O and a molecular weight of 239.17 g/mol. Its IUPAC name is N-(4-ethyl-1H-pyrazol-5-yl)-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(4-ethyl-1H-pyrazol-5-yl)-2,2,3,3-tetrafluoropropanamide
PubChem CID103944434
Molecular FormulaC8H9F4N3O
Molecular Weight239.17 g/mol
Exact Mass239.07
IUPAC NameN-(4-ethyl-1H-pyrazol-5-yl)-2,2,3,3-tetrafluoropropanamide
SMILESCCc1cn[nH]c1NC(=O)C(F)(F)C(F)F
InChIInChI=1S/C8H9F4N3O/c1-2-4-3-13-15-5(4)14-7(16)8(11,12)6(9)10/h3,6H,2H2,1H3,(H2,13,14,15,16)
InChIKeyBBKINGANSIYGAT-UHFFFAOYSA-N
XLogP1.81
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.17
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-2,2-difluoro-N-(4-propan-2-yl-1H-pyrazol-5-yl)cyclopropane-1-carboxamide
CID 164642746
N-(4-cyano-1H-pyrazol-5-yl)-3,3,3-trifluoropropanamide
CID 79503749
N-(4-carbamothioyl-1H-pyrazol-5-yl)-4,4,4-trifluorobutanamide
CID 79503980
N-(4-cyano-1H-pyrazol-5-yl)-4,4,4-trifluorobutanamide
CID 79504492
3-(2,2-difluoroethoxy)-N-(4-methyl-1H-pyrazol-5-yl)propanamide
CID 103209305
N-(4-cyano-1H-pyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103309877
N-(4-carbamothioyl-1H-pyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103309924
3,3,3-trifluoro-N-(4-methyl-1H-pyrazol-5-yl)-2-(trifluoromethyl)propanamide
CID 103310309
N-(4-ethyl-1H-pyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103310310
2,2-difluoro-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 103514076
N-(4-ethyl-1H-pyrazol-5-yl)-2,2-difluoroacetamide
CID 103514077
2,2,3,3-tetrafluoro-N-(4-methyl-1H-pyrazol-5-yl)propanamide
CID 103733843

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)-2,2,3,3-tetrafluoropropanamide (CID 103944434) is N-(4-ethyl-1H-pyrazol-5-yl)-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(4-ethyl-1H-pyrazol-5-yl)-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(4-ethyl-1H-pyrazol-5-yl)-2,2,3,3-tetrafluoropropanamide is CCc1cn[nH]c1NC(=O)C(F)(F)C(F)F.
What is the InChIKey of N-(4-ethyl-1H-pyrazol-5-yl)-2,2,3,3-tetrafluoropropanamide?
The InChIKey is BBKINGANSIYGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F4N3O/c1-2-4-3-13-15-5(4)14-7(16)8(11,12)6(9)10/h3,6H,2H2,1H3,(H2,13,14,15,16).
What are the key properties of N-(4-ethyl-1H-pyrazol-5-yl)-2,2,3,3-tetrafluoropropanamide?
N-(4-ethyl-1H-pyrazol-5-yl)-2,2,3,3-tetrafluoropropanamide has a molecular weight of 239.17 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-1H-pyrazol-5-yl)-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 103944434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).