6-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid

C16H10F3N3O2 — CID 139220135

IUPAC6-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-n2nc(-c3ccccc3)cc2C(F)(F)F)nc1
InChIInChI=1S/C16H10F3N3O2/c17-16(18,19)13-8-12(10-4-2-1-3-5-10)21-22(13)14-7-6-11(9-20-14)15(23)24/h1-9H,(H,23,24)
InChIKeyFPULOVSIHGWLJO-UHFFFAOYSA-N
MW333.27 g/mol
LogP3.65
Rot. Bonds3

About 6-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid

6-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid (PubChem CID 139220135) has the molecular formula C16H10F3N3O2 and a molecular weight of 333.27 g/mol. Its IUPAC name is 6-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid
PubChem CID139220135
Molecular FormulaC16H10F3N3O2
Molecular Weight333.27 g/mol
Exact Mass333.07
IUPAC Name6-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-n2nc(-c3ccccc3)cc2C(F)(F)F)nc1
InChIInChI=1S/C16H10F3N3O2/c17-16(18,19)13-8-12(10-4-2-1-3-5-10)21-22(13)14-7-6-11(9-20-14)15(23)24/h1-9H,(H,23,24)
InChIKeyFPULOVSIHGWLJO-UHFFFAOYSA-N
XLogP3.65
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid (CID 139220135) is 6-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid is O=C(O)c1ccc(-n2nc(-c3ccccc3)cc2C(F)(F)F)nc1.
What is the InChIKey of 6-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid?
The InChIKey is FPULOVSIHGWLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3O2/c17-16(18,19)13-8-12(10-4-2-1-3-5-10)21-22(13)14-7-6-11(9-20-14)15(23)24/h1-9H,(H,23,24).
What are the key properties of 6-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid?
6-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid has a molecular weight of 333.27 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 139220135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).