3-[3-(5-phenylpyrazol-1-yl)phenyl]benzoic acid

C22H16N2O2 — CID 118577261

IUPAC3-[3-(5-phenylpyrazol-1-yl)phenyl]benzoic acid
SMILESO=C(O)c1cccc(-c2cccc(-n3nccc3-c3ccccc3)c2)c1
InChIInChI=1S/C22H16N2O2/c25-22(26)19-10-4-8-17(14-19)18-9-5-11-20(15-18)24-21(12-13-23-24)16-6-2-1-3-7-16/h1-15H,(H,25,26)
InChIKeyVQNBGEFHVGUYNW-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.90
Rot. Bonds4

About 3-[3-(5-phenylpyrazol-1-yl)phenyl]benzoic acid

3-[3-(5-phenylpyrazol-1-yl)phenyl]benzoic acid (PubChem CID 118577261) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-[3-(5-phenylpyrazol-1-yl)phenyl]benzoic acid.

Molecular Properties

Compound Name3-[3-(5-phenylpyrazol-1-yl)phenyl]benzoic acid
PubChem CID118577261
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Name3-[3-(5-phenylpyrazol-1-yl)phenyl]benzoic acid
SMILESO=C(O)c1cccc(-c2cccc(-n3nccc3-c3ccccc3)c2)c1
InChIInChI=1S/C22H16N2O2/c25-22(26)19-10-4-8-17(14-19)18-9-5-11-20(15-18)24-21(12-13-23-24)16-6-2-1-3-7-16/h1-15H,(H,25,26)
InChIKeyVQNBGEFHVGUYNW-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-(5-phenylpyrazol-1-yl)benzoic acid
CID 16773226
3-[5-(4-fluorophenyl)pyrazol-1-yl]benzoic acid
CID 16776531
1-[3-(2-phenylpyrazol-3-yl)phenyl]propan-1-one
CID 107331042
[3-(5-phenylpyrazol-1-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 47877940
[3-(5-phenylpyrazol-1-yl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 56551199
N-(2-hydroxypropyl)-3-(5-phenylpyrazol-1-yl)benzamide
CID 110906604
methyl 4-[[3-(5-phenylpyrazol-1-yl)benzoyl]amino]piperidine-1-carboxylate
CID 47897961
N-(1-oxothiolan-3-yl)-3-(5-phenylpyrazol-1-yl)benzamide
CID 71864177
(4-amino-2-methylpiperidin-1-yl)-[3-(5-phenylpyrazol-1-yl)phenyl]methanone
CID 122149167
morpholin-4-yl-[1-[3-(5-phenylpyrazol-1-yl)benzoyl]piperidin-4-yl]methanone
CID 47076761
N-(5-methyl-1H-pyrazol-3-yl)-3-(5-phenylpyrazol-1-yl)benzamide
CID 47925828
3-[5-(2-phenylmethoxyphenyl)pyrazol-1-yl]benzoic acid
CID 11187832

Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-phenylpyrazol-1-yl)phenyl]benzoic acid?
The IUPAC name of 3-[3-(5-phenylpyrazol-1-yl)phenyl]benzoic acid (CID 118577261) is 3-[3-(5-phenylpyrazol-1-yl)phenyl]benzoic acid.
What is the SMILES notation for 3-[3-(5-phenylpyrazol-1-yl)phenyl]benzoic acid?
The canonical SMILES for 3-[3-(5-phenylpyrazol-1-yl)phenyl]benzoic acid is O=C(O)c1cccc(-c2cccc(-n3nccc3-c3ccccc3)c2)c1.
What is the InChIKey of 3-[3-(5-phenylpyrazol-1-yl)phenyl]benzoic acid?
The InChIKey is VQNBGEFHVGUYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2/c25-22(26)19-10-4-8-17(14-19)18-9-5-11-20(15-18)24-21(12-13-23-24)16-6-2-1-3-7-16/h1-15H,(H,25,26).
What are the key properties of 3-[3-(5-phenylpyrazol-1-yl)phenyl]benzoic acid?
3-[3-(5-phenylpyrazol-1-yl)phenyl]benzoic 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 3-[3-(5-phenylpyrazol-1-yl)phenyl]benzoic acid is sourced from PubChem (CID 118577261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).