5-fluoro-1-(4-fluorophenyl)pyrazole-4-carboxylic acid

C10H6F2N2O2 — CID 115034303

IUPAC5-fluoro-1-(4-fluorophenyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ccc(F)cc2)c1F
InChIInChI=1S/C10H6F2N2O2/c11-6-1-3-7(4-2-6)14-9(12)8(5-13-14)10(15)16/h1-5H,(H,15,16)
InChIKeyBQKHSDRSPKITNX-UHFFFAOYSA-N
MW224.17 g/mol
LogP1.85
Rot. Bonds2

About 5-fluoro-1-(4-fluorophenyl)pyrazole-4-carboxylic acid

5-fluoro-1-(4-fluorophenyl)pyrazole-4-carboxylic acid (PubChem CID 115034303) has the molecular formula C10H6F2N2O2 and a molecular weight of 224.17 g/mol. Its IUPAC name is 5-fluoro-1-(4-fluorophenyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-1-(4-fluorophenyl)pyrazole-4-carboxylic acid
PubChem CID115034303
Molecular FormulaC10H6F2N2O2
Molecular Weight224.17 g/mol
Exact Mass224.04
IUPAC Name5-fluoro-1-(4-fluorophenyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ccc(F)cc2)c1F
InChIInChI=1S/C10H6F2N2O2/c11-6-1-3-7(4-2-6)14-9(12)8(5-13-14)10(15)16/h1-5H,(H,15,16)
InChIKeyBQKHSDRSPKITNX-UHFFFAOYSA-N
XLogP1.85
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.17
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid
CID 82361611
1-(4-fluorophenyl)indazole-4-carboxylic acid
CID 58138774
1-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)pyrazole-4-carboxylic acid
CID 82187883
1-(4-fluorophenyl)-6-methylindazole-5-carboxylic acid
CID 90242362
1-(4-fluorophenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 25247485
1-(5-fluoro-1-phenylpyrazol-4-yl)-2-methylbutan-1-one
CID 114244058
1-(4-methoxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid
CID 82361607
[4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 90602016
methyl 1-(4-fluorophenyl)-5-(2-methoxyethoxy)pyrazole-4-carboxylate
CID 130223044
6-fluoro-1-pyridin-4-ylindazole-5-carboxylic acid
CID 171474840
1-(4-fluorophenyl)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazole-4-carboxylic acid
CID 67976230
ethane;methyl 1-(4-fluorophenyl)-5-(2-methoxyethoxy)pyrazole-4-carboxylate
CID 145347361

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(4-fluorophenyl)pyrazole-4-carboxylic acid?
The IUPAC name of 5-fluoro-1-(4-fluorophenyl)pyrazole-4-carboxylic acid (CID 115034303) is 5-fluoro-1-(4-fluorophenyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-fluoro-1-(4-fluorophenyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 5-fluoro-1-(4-fluorophenyl)pyrazole-4-carboxylic acid is O=C(O)c1cnn(-c2ccc(F)cc2)c1F.
What is the InChIKey of 5-fluoro-1-(4-fluorophenyl)pyrazole-4-carboxylic acid?
The InChIKey is BQKHSDRSPKITNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2N2O2/c11-6-1-3-7(4-2-6)14-9(12)8(5-13-14)10(15)16/h1-5H,(H,15,16).
What are the key properties of 5-fluoro-1-(4-fluorophenyl)pyrazole-4-carboxylic acid?
5-fluoro-1-(4-fluorophenyl)pyrazole-4-carboxylic acid has a molecular weight of 224.17 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(4-fluorophenyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 115034303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).