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

C6H6F3N3O — CID 140875022

IUPAC5-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1cn[nH]c1CC(F)(F)F
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)1-4-3(5(10)13)2-11-12-4/h2H,1H2,(H2,10,13)(H,11,12)
InChIKeyLDBJSNGSUCWAQI-UHFFFAOYSA-N
MW193.13 g/mol
LogP0.61
Rot. Bonds2

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

5-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide (PubChem CID 140875022) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
PubChem CID140875022
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC Name5-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1cn[nH]c1CC(F)(F)F
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)1-4-3(5(10)13)2-11-12-4/h2H,1H2,(H2,10,13)(H,11,12)
InChIKeyLDBJSNGSUCWAQI-UHFFFAOYSA-N
XLogP0.61
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide (CID 140875022) is 5-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide is NC(=O)c1cn[nH]c1CC(F)(F)F.
What is the InChIKey of 5-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is LDBJSNGSUCWAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c7-6(8,9)1-4-3(5(10)13)2-11-12-4/h2H,1H2,(H2,10,13)(H,11,12).
What are the key properties of 5-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
5-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 193.13 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 140875022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).