5-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyrazole-3-carboxylic acid

C10H6F3N3O3 — CID 61389260

IUPAC5-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyrazole-3-carboxylic acid
SMILESO=C(O)C1=NN(c2ccc(C(F)(F)F)cn2)C(=O)C1
InChIInChI=1S/C10H6F3N3O3/c11-10(12,13)5-1-2-7(14-4-5)16-8(17)3-6(15-16)9(18)19/h1-2,4H,3H2,(H,18,19)
InChIKeyVGWWPADGMROKMZ-UHFFFAOYSA-N
MW273.17 g/mol
LogP1.28
Rot. Bonds2

About 5-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyrazole-3-carboxylic acid

5-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyrazole-3-carboxylic acid (PubChem CID 61389260) has the molecular formula C10H6F3N3O3 and a molecular weight of 273.17 g/mol. Its IUPAC name is 5-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyrazole-3-carboxylic acid
PubChem CID61389260
Molecular FormulaC10H6F3N3O3
Molecular Weight273.17 g/mol
Exact Mass273.04
IUPAC Name5-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyrazole-3-carboxylic acid
SMILESO=C(O)C1=NN(c2ccc(C(F)(F)F)cn2)C(=O)C1
InChIInChI=1S/C10H6F3N3O3/c11-10(12,13)5-1-2-7(14-4-5)16-8(17)3-6(15-16)9(18)19/h1-2,4H,3H2,(H,18,19)
InChIKeyVGWWPADGMROKMZ-UHFFFAOYSA-N
XLogP1.28
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-chloropyridazin-3-yl)-5-oxo-4H-pyrazole-3-carboxylic acid
CID 61389259
2-(5-chloro-2-pyridinyl)-5-(trifluoromethyl)-4H-pyrazol-3-one
CID 170919950
3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 38559713
cyclopropyl-[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-1-yl]methanone
CID 154831085
cis-(1S,2R)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 51673380
4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1,2-dicarboxylic acid
CID 90744981
2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 58467625
4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 63721228
[4-(trifluoromethyl)phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 27809741
(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
CID 94895243
2,2-dimethyl-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 124760927
phenyl 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
CID 2822230

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyrazole-3-carboxylic acid (CID 61389260) is 5-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyrazole-3-carboxylic acid is O=C(O)C1=NN(c2ccc(C(F)(F)F)cn2)C(=O)C1.
What is the InChIKey of 5-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyrazole-3-carboxylic acid?
The InChIKey is VGWWPADGMROKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3O3/c11-10(12,13)5-1-2-7(14-4-5)16-8(17)3-6(15-16)9(18)19/h1-2,4H,3H2,(H,18,19).
What are the key properties of 5-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyrazole-3-carboxylic acid?
5-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyrazole-3-carboxylic acid has a molecular weight of 273.17 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 61389260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).