1-(5-fluoro-2-pyridinyl)-3-phenylpyrazole-4-carboxylic acid

C15H10FN3O2 — CID 66679487

IUPAC1-(5-fluoro-2-pyridinyl)-3-phenylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(F)cn2)nc1-c1ccccc1
InChIInChI=1S/C15H10FN3O2/c16-11-6-7-13(17-8-11)19-9-12(15(20)21)14(18-19)10-4-2-1-3-5-10/h1-9H,(H,20,21)
InChIKeyJZCDISBHSZZRMX-UHFFFAOYSA-N
MW283.26 g/mol
LogP2.77
Rot. Bonds3

About 1-(5-fluoro-2-pyridinyl)-3-phenylpyrazole-4-carboxylic acid

1-(5-fluoro-2-pyridinyl)-3-phenylpyrazole-4-carboxylic acid (PubChem CID 66679487) has the molecular formula C15H10FN3O2 and a molecular weight of 283.26 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-3-phenylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-3-phenylpyrazole-4-carboxylic acid
PubChem CID66679487
Molecular FormulaC15H10FN3O2
Molecular Weight283.26 g/mol
Exact Mass283.08
IUPAC Name1-(5-fluoro-2-pyridinyl)-3-phenylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(F)cn2)nc1-c1ccccc1
InChIInChI=1S/C15H10FN3O2/c16-11-6-7-13(17-8-11)19-9-12(15(20)21)14(18-19)10-4-2-1-3-5-10/h1-9H,(H,20,21)
InChIKeyJZCDISBHSZZRMX-UHFFFAOYSA-N
XLogP2.77
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-phenylpyrazole-4-carboxylic acid?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-phenylpyrazole-4-carboxylic acid (CID 66679487) is 1-(5-fluoro-2-pyridinyl)-3-phenylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-3-phenylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-3-phenylpyrazole-4-carboxylic acid is O=C(O)c1cn(-c2ccc(F)cn2)nc1-c1ccccc1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-3-phenylpyrazole-4-carboxylic acid?
The InChIKey is JZCDISBHSZZRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O2/c16-11-6-7-13(17-8-11)19-9-12(15(20)21)14(18-19)10-4-2-1-3-5-10/h1-9H,(H,20,21).
What are the key properties of 1-(5-fluoro-2-pyridinyl)-3-phenylpyrazole-4-carboxylic acid?
1-(5-fluoro-2-pyridinyl)-3-phenylpyrazole-4-carboxylic acid has a molecular weight of 283.26 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-3-phenylpyrazole-4-carboxylic acid is sourced from PubChem (CID 66679487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).