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

C16H8F2N4O2 — CID 86300879

IUPAC1-[5-cyano-6-(2,3-difluorophenyl)-3-pyridinyl]pyrazole-4-carboxylic acid
SMILESN#Cc1cc(-n2cc(C(=O)O)cn2)cnc1-c1cccc(F)c1F
InChIInChI=1S/C16H8F2N4O2/c17-13-3-1-2-12(14(13)18)15-9(5-19)4-11(7-20-15)22-8-10(6-21-22)16(23)24/h1-4,6-8H,(H,23,24)
InChIKeyUQIUTDGDQBJTLD-UHFFFAOYSA-N
MW326.26 g/mol
LogP2.78
Rot. Bonds3

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

1-[5-cyano-6-(2,3-difluorophenyl)-3-pyridinyl]pyrazole-4-carboxylic acid (PubChem CID 86300879) has the molecular formula C16H8F2N4O2 and a molecular weight of 326.26 g/mol. Its IUPAC name is 1-[5-cyano-6-(2,3-difluorophenyl)-3-pyridinyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[5-cyano-6-(2,3-difluorophenyl)-3-pyridinyl]pyrazole-4-carboxylic acid
PubChem CID86300879
Molecular FormulaC16H8F2N4O2
Molecular Weight326.26 g/mol
Exact Mass326.06
IUPAC Name1-[5-cyano-6-(2,3-difluorophenyl)-3-pyridinyl]pyrazole-4-carboxylic acid
SMILESN#Cc1cc(-n2cc(C(=O)O)cn2)cnc1-c1cccc(F)c1F
InChIInChI=1S/C16H8F2N4O2/c17-13-3-1-2-12(14(13)18)15-9(5-19)4-11(7-20-15)22-8-10(6-21-22)16(23)24/h1-4,6-8H,(H,23,24)
InChIKeyUQIUTDGDQBJTLD-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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Related Compounds

1-(3-Cyano-4-piperidin-1-ylphenyl)pyrazole-4-carboxylic acid
CID 145978706
1-Pyridin-3-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 58374142
1-(pyridin-3-yl)-1H-pyrazole-4-carboxylic acid hydrochloride
CID 71756061
1-(4-Fluorophenyl)-5-pyridin-4-ylpyrazole-4-carboxylic acid
CID 18676095
3-(4-Fluorophenyl)-1-pyridin-4-ylpyrazole-4-carboxylic acid
CID 43543095
3-(2-Fluorophenyl)-1-pyridin-4-ylpyrazole-4-carboxylic acid
CID 43543096
3-(3-Fluorophenyl)-1-pyridin-4-ylpyrazole-4-carboxylic acid
CID 43543101
5-[3-[2-(2-Fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]pyridine-3-carbonitrile
CID 46872730
1-(Pyridin-3-yl)-1H-pyrazole-4-carboxylic acid
CID 54593071
1-Pyridin-3-yl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 57963795
1-(4-Cyano-2-fluorophenyl)pyrazole-4-carboxylic acid
CID 61632491
3-[1-[(2,4-Difluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]prop-2-enoic acid
CID 66887908

Frequently Asked Questions

What is the IUPAC name of 1-[5-cyano-6-(2,3-difluorophenyl)-3-pyridinyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[5-cyano-6-(2,3-difluorophenyl)-3-pyridinyl]pyrazole-4-carboxylic acid (CID 86300879) is 1-[5-cyano-6-(2,3-difluorophenyl)-3-pyridinyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[5-cyano-6-(2,3-difluorophenyl)-3-pyridinyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[5-cyano-6-(2,3-difluorophenyl)-3-pyridinyl]pyrazole-4-carboxylic acid is N#Cc1cc(-n2cc(C(=O)O)cn2)cnc1-c1cccc(F)c1F.
What is the InChIKey of 1-[5-cyano-6-(2,3-difluorophenyl)-3-pyridinyl]pyrazole-4-carboxylic acid?
The InChIKey is UQIUTDGDQBJTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F2N4O2/c17-13-3-1-2-12(14(13)18)15-9(5-19)4-11(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-(2,3-difluorophenyl)-3-pyridinyl]pyrazole-4-carboxylic acid?
1-[5-cyano-6-(2,3-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-(2,3-difluorophenyl)-3-pyridinyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 86300879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).