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

C11H5F6N3O2 — CID 22250326

IUPAC3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(C(F)(F)F)nn1-c1ncccc1C(F)(F)F
InChIInChI=1S/C11H5F6N3O2/c12-10(13,14)5-2-1-3-18-8(5)20-6(9(21)22)4-7(19-20)11(15,16)17/h1-4H,(H,21,22)
InChIKeyWVFKGGYNYMAMKJ-UHFFFAOYSA-N
MW325.17 g/mol
LogP3.00
Rot. Bonds2

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

3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid (PubChem CID 22250326) has the molecular formula C11H5F6N3O2 and a molecular weight of 325.17 g/mol. Its IUPAC name is 3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid
PubChem CID22250326
Molecular FormulaC11H5F6N3O2
Molecular Weight325.17 g/mol
Exact Mass325.03
IUPAC Name3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(C(F)(F)F)nn1-c1ncccc1C(F)(F)F
InChIInChI=1S/C11H5F6N3O2/c12-10(13,14)5-2-1-3-18-8(5)20-6(9(21)22)4-7(19-20)11(15,16)17/h1-4H,(H,21,22)
InChIKeyWVFKGGYNYMAMKJ-UHFFFAOYSA-N
XLogP3.00
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid?
The IUPAC name of 3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid (CID 22250326) is 3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid is O=C(O)c1cc(C(F)(F)F)nn1-c1ncccc1C(F)(F)F.
What is the InChIKey of 3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid?
The InChIKey is WVFKGGYNYMAMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F6N3O2/c12-10(13,14)5-2-1-3-18-8(5)20-6(9(21)22)4-7(19-20)11(15,16)17/h1-4H,(H,21,22).
What are the key properties of 3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid?
3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid has a molecular weight of 325.17 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid is sourced from PubChem (CID 22250326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).