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

C11H5F6N3O2 — CID 17485406

IUPAC5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(F)(F)F
InChIInChI=1S/C11H5F6N3O2/c12-10(13,14)5-1-2-7(18-3-5)20-8(11(15,16)17)6(4-19-20)9(21)22/h1-4H,(H,21,22)
InChIKeyVPNYSBNYKRROAB-UHFFFAOYSA-N
MW325.17 g/mol
LogP3.00
Rot. Bonds2

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

5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylic acid (PubChem CID 17485406) has the molecular formula C11H5F6N3O2 and a molecular weight of 325.17 g/mol. Its IUPAC name is 5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylic acid
PubChem CID17485406
Molecular FormulaC11H5F6N3O2
Molecular Weight325.17 g/mol
Exact Mass325.03
IUPAC Name5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(F)(F)F
InChIInChI=1S/C11H5F6N3O2/c12-10(13,14)5-1-2-7(18-3-5)20-8(11(15,16)17)6(4-19-20)9(21)22/h1-4H,(H,21,22)
InChIKeyVPNYSBNYKRROAB-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 5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylic acid?
The IUPAC name of 5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylic acid (CID 17485406) is 5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylic acid is O=C(O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(F)(F)F.
What is the InChIKey of 5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylic acid?
The InChIKey is VPNYSBNYKRROAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F6N3O2/c12-10(13,14)5-1-2-7(18-3-5)20-8(11(15,16)17)6(4-19-20)9(21)22/h1-4H,(H,21,22).
What are the key properties of 5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylic acid?
5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-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 5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 17485406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).