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

C16H8F2N4O2 — CID 86301021

IUPAC1-[5-cyano-6-(2,4-difluorophenyl)-3-pyridinyl]pyrazole-4-carboxylic acid
SMILESN#Cc1cc(-n2cc(C(=O)O)cn2)cnc1-c1ccc(F)cc1F
InChIInChI=1S/C16H8F2N4O2/c17-11-1-2-13(14(18)4-11)15-9(5-19)3-12(7-20-15)22-8-10(6-21-22)16(23)24/h1-4,6-8H,(H,23,24)
InChIKeyNUOUGBNFGZDCJL-UHFFFAOYSA-N
MW326.26 g/mol
LogP2.78
Rot. Bonds3

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

1-[5-cyano-6-(2,4-difluorophenyl)-3-pyridinyl]pyrazole-4-carboxylic acid (PubChem CID 86301021) has the molecular formula C16H8F2N4O2 and a molecular weight of 326.26 g/mol. Its IUPAC name is 1-[5-cyano-6-(2,4-difluorophenyl)-3-pyridinyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[5-cyano-6-(2,4-difluorophenyl)-3-pyridinyl]pyrazole-4-carboxylic acid
PubChem CID86301021
Molecular FormulaC16H8F2N4O2
Molecular Weight326.26 g/mol
Exact Mass326.06
IUPAC Name1-[5-cyano-6-(2,4-difluorophenyl)-3-pyridinyl]pyrazole-4-carboxylic acid
SMILESN#Cc1cc(-n2cc(C(=O)O)cn2)cnc1-c1ccc(F)cc1F
InChIInChI=1S/C16H8F2N4O2/c17-11-1-2-13(14(18)4-11)15-9(5-19)3-12(7-20-15)22-8-10(6-21-22)16(23)24/h1-4,6-8H,(H,23,24)
InChIKeyNUOUGBNFGZDCJL-UHFFFAOYSA-N
XLogP2.78
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 52.78
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-(2,4-difluorophenyl)-3-pyridinyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[5-cyano-6-(2,4-difluorophenyl)-3-pyridinyl]pyrazole-4-carboxylic acid (CID 86301021) is 1-[5-cyano-6-(2,4-difluorophenyl)-3-pyridinyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[5-cyano-6-(2,4-difluorophenyl)-3-pyridinyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[5-cyano-6-(2,4-difluorophenyl)-3-pyridinyl]pyrazole-4-carboxylic acid is N#Cc1cc(-n2cc(C(=O)O)cn2)cnc1-c1ccc(F)cc1F.
What is the InChIKey of 1-[5-cyano-6-(2,4-difluorophenyl)-3-pyridinyl]pyrazole-4-carboxylic acid?
The InChIKey is NUOUGBNFGZDCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F2N4O2/c17-11-1-2-13(14(18)4-11)15-9(5-19)3-12(7-20-15)22-8-10(6-21-22)16(23)24/h1-4,6-8H,(H,23,24).
What are the key properties of 1-[5-cyano-6-(2,4-difluorophenyl)-3-pyridinyl]pyrazole-4-carboxylic acid?
1-[5-cyano-6-(2,4-difluorophenyl)-3-pyridinyl]pyrazole-4-carboxylic acid has a molecular weight of 326.26 g/mol, XLogP of 2.78, 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-(2,4-difluorophenyl)-3-pyridinyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 86301021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).