6-[3-oxo-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-2-yl]pyridine-3-carboxylic acid

C13H8F3N5O3 — CID 70300519

IUPAC6-[3-oxo-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-2-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-n2[nH]cc(-n3cnc(C(F)(F)F)c3)c2=O)nc1
InChIInChI=1S/C13H8F3N5O3/c14-13(15,16)9-5-20(6-18-9)8-4-19-21(11(8)22)10-2-1-7(3-17-10)12(23)24/h1-6,19H,(H,23,24)
InChIKeyNNQRQEFBZUIHGT-UHFFFAOYSA-N
MW339.23 g/mol
LogP1.46
Rot. Bonds3

About 6-[3-oxo-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-2-yl]pyridine-3-carboxylic acid

6-[3-oxo-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-2-yl]pyridine-3-carboxylic acid (PubChem CID 70300519) has the molecular formula C13H8F3N5O3 and a molecular weight of 339.23 g/mol. Its IUPAC name is 6-[3-oxo-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-2-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[3-oxo-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-2-yl]pyridine-3-carboxylic acid
PubChem CID70300519
Molecular FormulaC13H8F3N5O3
Molecular Weight339.23 g/mol
Exact Mass339.06
IUPAC Name6-[3-oxo-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-2-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-n2[nH]cc(-n3cnc(C(F)(F)F)c3)c2=O)nc1
InChIInChI=1S/C13H8F3N5O3/c14-13(15,16)9-5-20(6-18-9)8-4-19-21(11(8)22)10-2-1-7(3-17-10)12(23)24/h1-6,19H,(H,23,24)
InChIKeyNNQRQEFBZUIHGT-UHFFFAOYSA-N
XLogP1.46
TPSA105.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-bromo-2-pyridinyl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-3-one
CID 59603707
6-[3-oxo-4-(triazol-1-yl)-1H-pyrazol-2-yl]pyridine-3-carboxylic acid
CID 59603606
6-[3-oxo-4-(triazol-1-yl)-1H-pyrazol-2-yl]pyridine-3-carboxylic acid;hydrochloride
CID 68752833
4-[4-(trifluoromethyl)imidazol-1-yl]benzoic acid
CID 175004307
6-[4-[4-isocyano-2-(trifluoromethyl)phenyl]-3-oxo-1H-pyrazol-2-yl]pyridine-3-carboxylic acid
CID 168846346
6-[4-(4-cyano-2-hydroxyphenyl)-3-oxo-1H-pyrazol-2-yl]pyridine-3-carboxylic acid
CID 166173549
6-[4-(2-chloro-4-isocyanophenyl)-3-oxo-1H-pyrazol-2-yl]pyridine-3-carboxylic acid
CID 168846347
6-[4-(2-chloro-4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]pyridine-3-carboxylic acid
CID 163758952
6-[4-(4-butoxy-3-methylphenyl)-3-oxo-1H-pyrazol-2-yl]pyridine-3-carboxylic acid
CID 168846315
2-[5-(2,2-dimethylpropoxy)-2-pyridinyl]-4-imidazol-1-yl-1H-pyrazol-3-one
CID 59603695
1-(2-fluorophenyl)-4-(trifluoromethyl)imidazole
CID 154447473
[6-[3-oxo-4-(triazol-1-yl)-1H-pyrazol-2-yl]-3-pyridinyl] hydrogen carbonate;hydrochloride
CID 67456812

Frequently Asked Questions

What is the IUPAC name of 6-[3-oxo-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-2-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[3-oxo-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-2-yl]pyridine-3-carboxylic acid (CID 70300519) is 6-[3-oxo-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-2-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[3-oxo-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-2-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[3-oxo-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-2-yl]pyridine-3-carboxylic acid is O=C(O)c1ccc(-n2[nH]cc(-n3cnc(C(F)(F)F)c3)c2=O)nc1.
What is the InChIKey of 6-[3-oxo-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-2-yl]pyridine-3-carboxylic acid?
The InChIKey is NNQRQEFBZUIHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N5O3/c14-13(15,16)9-5-20(6-18-9)8-4-19-21(11(8)22)10-2-1-7(3-17-10)12(23)24/h1-6,19H,(H,23,24).
What are the key properties of 6-[3-oxo-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-2-yl]pyridine-3-carboxylic acid?
6-[3-oxo-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-2-yl]pyridine-3-carboxylic acid has a molecular weight of 339.23 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-oxo-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-2-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 70300519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).