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

C8H9F4N3O — CID 103733516

IUPACN-(4,5-dimethyl-1H-pyrazol-3-yl)-2,2,3,3-tetrafluoropropanamide
SMILESCc1[nH]nc(NC(=O)C(F)(F)C(F)F)c1C
InChIInChI=1S/C8H9F4N3O/c1-3-4(2)14-15-5(3)13-7(16)8(11,12)6(9)10/h6H,1-2H3,(H2,13,14,15,16)
InChIKeyTUIRBKUMIQLAPP-UHFFFAOYSA-N
MW239.17 g/mol
LogP1.87
Rot. Bonds3

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

N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,2,3,3-tetrafluoropropanamide (PubChem CID 103733516) has the molecular formula C8H9F4N3O and a molecular weight of 239.17 g/mol. Its IUPAC name is N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-2,2,3,3-tetrafluoropropanamide
PubChem CID103733516
Molecular FormulaC8H9F4N3O
Molecular Weight239.17 g/mol
Exact Mass239.07
IUPAC NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-2,2,3,3-tetrafluoropropanamide
SMILESCc1[nH]nc(NC(=O)C(F)(F)C(F)F)c1C
InChIInChI=1S/C8H9F4N3O/c1-3-4(2)14-15-5(3)13-7(16)8(11,12)6(9)10/h6H,1-2H3,(H2,13,14,15,16)
InChIKeyTUIRBKUMIQLAPP-UHFFFAOYSA-N
XLogP1.87
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.17
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(4,5-dimethyl-1H-pyrazol-3-yl)-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,2,3,3-tetrafluoropropanamide (CID 103733516) is N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,2,3,3-tetrafluoropropanamide is Cc1[nH]nc(NC(=O)C(F)(F)C(F)F)c1C.
What is the InChIKey of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,2,3,3-tetrafluoropropanamide?
The InChIKey is TUIRBKUMIQLAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F4N3O/c1-3-4(2)14-15-5(3)13-7(16)8(11,12)6(9)10/h6H,1-2H3,(H2,13,14,15,16).
What are the key properties of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,2,3,3-tetrafluoropropanamide?
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,2,3,3-tetrafluoropropanamide has a molecular weight of 239.17 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 103733516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).