2-ethylpyrazole-3-carboxamide;2,2,2-trifluoroacetic acid

C8H10F3N3O3 — CID 68726134

IUPAC2-ethylpyrazole-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCn1nccc1C(N)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C6H9N3O.C2HF3O2/c1-2-9-5(6(7)10)3-4-8-9;3-2(4,5)1(6)7/h3-4H,2H2,1H3,(H2,7,10);(H,6,7)
InChIKeyLDHOPVSGEXEFOE-UHFFFAOYSA-N
MW253.18 g/mol
LogP0.64
Rot. Bonds2

About 2-ethylpyrazole-3-carboxamide;2,2,2-trifluoroacetic acid

2-ethylpyrazole-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 68726134) has the molecular formula C8H10F3N3O3 and a molecular weight of 253.18 g/mol. Its IUPAC name is 2-ethylpyrazole-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-ethylpyrazole-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID68726134
Molecular FormulaC8H10F3N3O3
Molecular Weight253.18 g/mol
Exact Mass253.07
IUPAC Name2-ethylpyrazole-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCn1nccc1C(N)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C6H9N3O.C2HF3O2/c1-2-9-5(6(7)10)3-4-8-9;3-2(4,5)1(6)7/h3-4H,2H2,1H3,(H2,7,10);(H,6,7)
InChIKeyLDHOPVSGEXEFOE-UHFFFAOYSA-N
XLogP0.64
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-ethylpyrazole-3-carboxamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethylpyrazole-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-ethylpyrazole-3-carboxamide;2,2,2-trifluoroacetic acid (CID 68726134) is 2-ethylpyrazole-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-ethylpyrazole-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-ethylpyrazole-3-carboxamide;2,2,2-trifluoroacetic acid is CCn1nccc1C(N)=O.O=C(O)C(F)(F)F.
What is the InChIKey of 2-ethylpyrazole-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is LDHOPVSGEXEFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O.C2HF3O2/c1-2-9-5(6(7)10)3-4-8-9;3-2(4,5)1(6)7/h3-4H,2H2,1H3,(H2,7,10);(H,6,7).
What are the key properties of 2-ethylpyrazole-3-carboxamide;2,2,2-trifluoroacetic acid?
2-ethylpyrazole-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 253.18 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylpyrazole-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68726134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).