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

C20H12F3N3O2 — CID 15956868

IUPAC3-naphthalen-2-yl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc3ccccc3c2)nn1-c1ncccc1C(F)(F)F
InChIInChI=1S/C20H12F3N3O2/c21-20(22,23)15-6-3-9-24-18(15)26-17(19(27)28)11-16(25-26)14-8-7-12-4-1-2-5-13(12)10-14/h1-11H,(H,27,28)
InChIKeyAWFDPMUMAIEYIY-UHFFFAOYSA-N
MW383.33 g/mol
LogP4.80
Rot. Bonds3

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

3-naphthalen-2-yl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid (PubChem CID 15956868) has the molecular formula C20H12F3N3O2 and a molecular weight of 383.33 g/mol. Its IUPAC name is 3-naphthalen-2-yl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-naphthalen-2-yl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid
PubChem CID15956868
Molecular FormulaC20H12F3N3O2
Molecular Weight383.33 g/mol
Exact Mass383.09
IUPAC Name3-naphthalen-2-yl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc3ccccc3c2)nn1-c1ncccc1C(F)(F)F
InChIInChI=1S/C20H12F3N3O2/c21-20(22,23)15-6-3-9-24-18(15)26-17(19(27)28)11-16(25-26)14-8-7-12-4-1-2-5-13(12)10-14/h1-11H,(H,27,28)
InChIKeyAWFDPMUMAIEYIY-UHFFFAOYSA-N
XLogP4.80
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.33
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid?
The IUPAC name of 3-naphthalen-2-yl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid (CID 15956868) is 3-naphthalen-2-yl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-naphthalen-2-yl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid?
The canonical SMILES for 3-naphthalen-2-yl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid is O=C(O)c1cc(-c2ccc3ccccc3c2)nn1-c1ncccc1C(F)(F)F.
What is the InChIKey of 3-naphthalen-2-yl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid?
The InChIKey is AWFDPMUMAIEYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N3O2/c21-20(22,23)15-6-3-9-24-18(15)26-17(19(27)28)11-16(25-26)14-8-7-12-4-1-2-5-13(12)10-14/h1-11H,(H,27,28).
What are the key properties of 3-naphthalen-2-yl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid?
3-naphthalen-2-yl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid has a molecular weight of 383.33 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid is sourced from PubChem (CID 15956868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).