1,3,4-triphenylpyrazole-5-carboxylic acid

C22H16N2O2 — CID 15566290

IUPAC1,3,4-triphenylpyrazole-5-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C22H16N2O2/c25-22(26)21-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)23-24(21)18-14-8-3-9-15-18/h1-15H,(H,25,26)
InChIKeyXGRYRBSPDSDGOO-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.90
Rot. Bonds4

About 1,3,4-triphenylpyrazole-5-carboxylic acid

1,3,4-triphenylpyrazole-5-carboxylic acid (PubChem CID 15566290) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1,3,4-triphenylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1,3,4-triphenylpyrazole-5-carboxylic acid
PubChem CID15566290
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Name1,3,4-triphenylpyrazole-5-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C22H16N2O2/c25-22(26)21-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)23-24(21)18-14-8-3-9-15-18/h1-15H,(H,25,26)
InChIKeyXGRYRBSPDSDGOO-UHFFFAOYSA-N
XLogP4.90
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-Dimethyl-1H-pyrazol-1-yl)benzoic acid
CID 612274
1,5-diphenyl-1H-pyrazole-3-carboxylic acid
CID 869152
5-methyl-1,3-diphenyl-1H-pyrazole-4-carboxylic acid
CID 673680
3-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1-[2-(trifluoromethyl)phenyl]pyrazole-5-carboxylic acid
CID 14971706
5-propyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid
CID 14971717
5-(4-Chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-carboxylic acid
CID 1477243
1-(4-fluorophenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid
CID 1477271
5-tert-Butyl-1-phenyl-1H-pyrazole-3-carboxylic acid
CID 611222
3-(4-fluorophenyl)-1-methyl-1H-pyrazole-5-carboxylic acid
CID 6498679
Isofezolac
CID 68677
1-(3-Methylphenyl)-5-Phenyl-1h-Pyrazole-3-Carboxylic Acid
CID 869081
3-butyl-1-(2-methylphenyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-5-carboxylic acid
CID 14971705

Frequently Asked Questions

What is the IUPAC name of 1,3,4-triphenylpyrazole-5-carboxylic acid?
The IUPAC name of 1,3,4-triphenylpyrazole-5-carboxylic acid (CID 15566290) is 1,3,4-triphenylpyrazole-5-carboxylic acid.
What is the SMILES notation for 1,3,4-triphenylpyrazole-5-carboxylic acid?
The canonical SMILES for 1,3,4-triphenylpyrazole-5-carboxylic acid is O=C(O)c1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of 1,3,4-triphenylpyrazole-5-carboxylic acid?
The InChIKey is XGRYRBSPDSDGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2/c25-22(26)21-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)23-24(21)18-14-8-3-9-15-18/h1-15H,(H,25,26).
What are the key properties of 1,3,4-triphenylpyrazole-5-carboxylic acid?
1,3,4-triphenylpyrazole-5-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-triphenylpyrazole-5-carboxylic acid is sourced from PubChem (CID 15566290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).