5-[(2,2,2-trifluoroacetyl)amino]-1H-pyrazole-4-carboxylic acid

C6H4F3N3O3 — CID 110481235

IUPAC5-[(2,2,2-trifluoroacetyl)amino]-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1NC(=O)C(F)(F)F
InChIInChI=1S/C6H4F3N3O3/c7-6(8,9)5(15)11-3-2(4(13)14)1-10-12-3/h1H,(H,13,14)(H2,10,11,12,15)
InChIKeyFZOQWEYRVYYAHB-UHFFFAOYSA-N
MW223.11 g/mol
LogP0.61
Rot. Bonds2

About 5-[(2,2,2-trifluoroacetyl)amino]-1H-pyrazole-4-carboxylic acid

5-[(2,2,2-trifluoroacetyl)amino]-1H-pyrazole-4-carboxylic acid (PubChem CID 110481235) has the molecular formula C6H4F3N3O3 and a molecular weight of 223.11 g/mol. Its IUPAC name is 5-[(2,2,2-trifluoroacetyl)amino]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(2,2,2-trifluoroacetyl)amino]-1H-pyrazole-4-carboxylic acid
PubChem CID110481235
Molecular FormulaC6H4F3N3O3
Molecular Weight223.11 g/mol
Exact Mass223.02
IUPAC Name5-[(2,2,2-trifluoroacetyl)amino]-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1NC(=O)C(F)(F)F
InChIInChI=1S/C6H4F3N3O3/c7-6(8,9)5(15)11-3-2(4(13)14)1-10-12-3/h1H,(H,13,14)(H2,10,11,12,15)
InChIKeyFZOQWEYRVYYAHB-UHFFFAOYSA-N
XLogP0.61
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.11
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,2,2-trifluoroacetyl)amino]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[(2,2,2-trifluoroacetyl)amino]-1H-pyrazole-4-carboxylic acid (CID 110481235) is 5-[(2,2,2-trifluoroacetyl)amino]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[(2,2,2-trifluoroacetyl)amino]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[(2,2,2-trifluoroacetyl)amino]-1H-pyrazole-4-carboxylic acid is O=C(O)c1cn[nH]c1NC(=O)C(F)(F)F.
What is the InChIKey of 5-[(2,2,2-trifluoroacetyl)amino]-1H-pyrazole-4-carboxylic acid?
The InChIKey is FZOQWEYRVYYAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3N3O3/c7-6(8,9)5(15)11-3-2(4(13)14)1-10-12-3/h1H,(H,13,14)(H2,10,11,12,15).
What are the key properties of 5-[(2,2,2-trifluoroacetyl)amino]-1H-pyrazole-4-carboxylic acid?
5-[(2,2,2-trifluoroacetyl)amino]-1H-pyrazole-4-carboxylic acid has a molecular weight of 223.11 g/mol, XLogP of 0.61, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2,2-trifluoroacetyl)amino]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 110481235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).