1-[5-cyano-6-(2-fluorophenyl)-3-pyridinyl]pyrazole-4-carboxylic acid

C16H9FN4O2 — CID 86300749

IUPAC1-[5-cyano-6-(2-fluorophenyl)-3-pyridinyl]pyrazole-4-carboxylic acid
SMILESN#Cc1cc(-n2cc(C(=O)O)cn2)cnc1-c1ccccc1F
InChIInChI=1S/C16H9FN4O2/c17-14-4-2-1-3-13(14)15-10(6-18)5-12(8-19-15)21-9-11(7-20-21)16(22)23/h1-5,7-9H,(H,22,23)
InChIKeyYKBMATSTVSTASE-UHFFFAOYSA-N
MW308.27 g/mol
LogP2.64
Rot. Bonds3

About 1-[5-cyano-6-(2-fluorophenyl)-3-pyridinyl]pyrazole-4-carboxylic acid

1-[5-cyano-6-(2-fluorophenyl)-3-pyridinyl]pyrazole-4-carboxylic acid (PubChem CID 86300749) has the molecular formula C16H9FN4O2 and a molecular weight of 308.27 g/mol. Its IUPAC name is 1-[5-cyano-6-(2-fluorophenyl)-3-pyridinyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[5-cyano-6-(2-fluorophenyl)-3-pyridinyl]pyrazole-4-carboxylic acid
PubChem CID86300749
Molecular FormulaC16H9FN4O2
Molecular Weight308.27 g/mol
Exact Mass308.07
IUPAC Name1-[5-cyano-6-(2-fluorophenyl)-3-pyridinyl]pyrazole-4-carboxylic acid
SMILESN#Cc1cc(-n2cc(C(=O)O)cn2)cnc1-c1ccccc1F
InChIInChI=1S/C16H9FN4O2/c17-14-4-2-1-3-13(14)15-10(6-18)5-12(8-19-15)21-9-11(7-20-21)16(22)23/h1-5,7-9H,(H,22,23)
InChIKeyYKBMATSTVSTASE-UHFFFAOYSA-N
XLogP2.64
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.27
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-cyano-6-(2-fluorophenyl)-3-pyridinyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[5-cyano-6-(2-fluorophenyl)-3-pyridinyl]pyrazole-4-carboxylic acid (CID 86300749) is 1-[5-cyano-6-(2-fluorophenyl)-3-pyridinyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[5-cyano-6-(2-fluorophenyl)-3-pyridinyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[5-cyano-6-(2-fluorophenyl)-3-pyridinyl]pyrazole-4-carboxylic acid is N#Cc1cc(-n2cc(C(=O)O)cn2)cnc1-c1ccccc1F.
What is the InChIKey of 1-[5-cyano-6-(2-fluorophenyl)-3-pyridinyl]pyrazole-4-carboxylic acid?
The InChIKey is YKBMATSTVSTASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9FN4O2/c17-14-4-2-1-3-13(14)15-10(6-18)5-12(8-19-15)21-9-11(7-20-21)16(22)23/h1-5,7-9H,(H,22,23).
What are the key properties of 1-[5-cyano-6-(2-fluorophenyl)-3-pyridinyl]pyrazole-4-carboxylic acid?
1-[5-cyano-6-(2-fluorophenyl)-3-pyridinyl]pyrazole-4-carboxylic acid has a molecular weight of 308.27 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-cyano-6-(2-fluorophenyl)-3-pyridinyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 86300749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).