5-(4-fluorophenyl)-1-pyridin-2-ylpyrazole-4-carboxylic acid

C15H10FN3O2 — CID 59325195

IUPAC5-(4-fluorophenyl)-1-pyridin-2-ylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ccccn2)c1-c1ccc(F)cc1
InChIInChI=1S/C15H10FN3O2/c16-11-6-4-10(5-7-11)14-12(15(20)21)9-18-19(14)13-3-1-2-8-17-13/h1-9H,(H,20,21)
InChIKeyQJMAIGMGQBMCSH-UHFFFAOYSA-N
MW283.26 g/mol
LogP2.77
Rot. Bonds3

About 5-(4-fluorophenyl)-1-pyridin-2-ylpyrazole-4-carboxylic acid

5-(4-fluorophenyl)-1-pyridin-2-ylpyrazole-4-carboxylic acid (PubChem CID 59325195) has the molecular formula C15H10FN3O2 and a molecular weight of 283.26 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1-pyridin-2-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1-pyridin-2-ylpyrazole-4-carboxylic acid
PubChem CID59325195
Molecular FormulaC15H10FN3O2
Molecular Weight283.26 g/mol
Exact Mass283.08
IUPAC Name5-(4-fluorophenyl)-1-pyridin-2-ylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ccccn2)c1-c1ccc(F)cc1
InChIInChI=1S/C15H10FN3O2/c16-11-6-4-10(5-7-11)14-12(15(20)21)9-18-19(14)13-3-1-2-8-17-13/h1-9H,(H,20,21)
InChIKeyQJMAIGMGQBMCSH-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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Related Compounds

1-phenyl-3-(pyridin-4-yl)-1H-pyrazole-4-carboxylic acid
CID 976454
2-(5-p-tolyl-1H-pyrazol-1-yl)isonicotinic acid
CID 76901247
2-[5-(3-hydroxyphenyl)-1H-pyrazol-1-yl]pyridine-4-carboxylic acid
CID 76901620
7-(4-Fluorophenyl)pyrazolo(1,5-a)pyrimidine-2-carboxylic acid
CID 4775471
6-(1H-pyrazol-1-yl)pyridine-3-carboxylic acid
CID 2763614
7-Phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 6487614
1-phenyl-3-(pyridin-3-yl)-1H-pyrazole-4-carboxylic acid
CID 752171
1-[6-[3-(Dimethylcarbamoyl)phenyl]pyridin-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 157010569
1-benzyl-3-(pyridin-3-yl)-1H-pyrazole-4-carboxylic acid
CID 2497643
5-Phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 804063
7-Cyclohexyl-6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 15958132
2-(5-(2,4-difluorophenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 76901615

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1-pyridin-2-ylpyrazole-4-carboxylic acid?
The IUPAC name of 5-(4-fluorophenyl)-1-pyridin-2-ylpyrazole-4-carboxylic acid (CID 59325195) is 5-(4-fluorophenyl)-1-pyridin-2-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(4-fluorophenyl)-1-pyridin-2-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-(4-fluorophenyl)-1-pyridin-2-ylpyrazole-4-carboxylic acid is O=C(O)c1cnn(-c2ccccn2)c1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-1-pyridin-2-ylpyrazole-4-carboxylic acid?
The InChIKey is QJMAIGMGQBMCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O2/c16-11-6-4-10(5-7-11)14-12(15(20)21)9-18-19(14)13-3-1-2-8-17-13/h1-9H,(H,20,21).
What are the key properties of 5-(4-fluorophenyl)-1-pyridin-2-ylpyrazole-4-carboxylic acid?
5-(4-fluorophenyl)-1-pyridin-2-ylpyrazole-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 5-(4-fluorophenyl)-1-pyridin-2-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 59325195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).