5-(1,1,2,2,2-pentafluoroethyl)-4-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide

C8H5F8N3O — CID 175825588

IUPAC5-(1,1,2,2,2-pentafluoroethyl)-4-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
SMILESNC(=O)c1n[nH]c(C(F)(F)C(F)(F)F)c1CC(F)(F)F
InChIInChI=1S/C8H5F8N3O/c9-6(10,11)1-2-3(5(17)20)18-19-4(2)7(12,13)8(14,15)16/h1H2,(H2,17,20)(H,18,19)
InChIKeySFLWYNKQXRISKB-UHFFFAOYSA-N
MW311.13 g/mol
LogP2.27
Rot. Bonds3

About 5-(1,1,2,2,2-pentafluoroethyl)-4-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide

5-(1,1,2,2,2-pentafluoroethyl)-4-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide (PubChem CID 175825588) has the molecular formula C8H5F8N3O and a molecular weight of 311.13 g/mol. Its IUPAC name is 5-(1,1,2,2,2-pentafluoroethyl)-4-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(1,1,2,2,2-pentafluoroethyl)-4-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
PubChem CID175825588
Molecular FormulaC8H5F8N3O
Molecular Weight311.13 g/mol
Exact Mass311.03
IUPAC Name5-(1,1,2,2,2-pentafluoroethyl)-4-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
SMILESNC(=O)c1n[nH]c(C(F)(F)C(F)(F)F)c1CC(F)(F)F
InChIInChI=1S/C8H5F8N3O/c9-6(10,11)1-2-3(5(17)20)18-19-4(2)7(12,13)8(14,15)16/h1H2,(H2,17,20)(H,18,19)
InChIKeySFLWYNKQXRISKB-UHFFFAOYSA-N
XLogP2.27
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.13
LogP ≤ 52.27
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 5-(1,1,2,2,2-pentafluoroethyl)-4-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(1,1,2,2,2-pentafluoroethyl)-4-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide (CID 175825588) is 5-(1,1,2,2,2-pentafluoroethyl)-4-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(1,1,2,2,2-pentafluoroethyl)-4-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(1,1,2,2,2-pentafluoroethyl)-4-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide is NC(=O)c1n[nH]c(C(F)(F)C(F)(F)F)c1CC(F)(F)F.
What is the InChIKey of 5-(1,1,2,2,2-pentafluoroethyl)-4-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is SFLWYNKQXRISKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F8N3O/c9-6(10,11)1-2-3(5(17)20)18-19-4(2)7(12,13)8(14,15)16/h1H2,(H2,17,20)(H,18,19).
What are the key properties of 5-(1,1,2,2,2-pentafluoroethyl)-4-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
5-(1,1,2,2,2-pentafluoroethyl)-4-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 311.13 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,2,2,2-pentafluoroethyl)-4-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 175825588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).