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

C22H16N2O2 — CID 118577360

IUPAC3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]benzoic acid
SMILESO=C(O)c1cccc(-c2cccc(-c3cc(-c4ccccc4)[nH]n3)c2)c1
InChIInChI=1S/C22H16N2O2/c25-22(26)19-11-5-9-17(13-19)16-8-4-10-18(12-16)21-14-20(23-24-21)15-6-2-1-3-7-15/h1-14H,(H,23,24)(H,25,26)
InChIKeyBPCGAPLCKBGCIB-UHFFFAOYSA-N
MW340.38 g/mol
LogP5.11
Rot. Bonds4

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

3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]benzoic acid (PubChem CID 118577360) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]benzoic acid.

Molecular Properties

Compound Name3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]benzoic acid
PubChem CID118577360
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Name3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]benzoic acid
SMILESO=C(O)c1cccc(-c2cccc(-c3cc(-c4ccccc4)[nH]n3)c2)c1
InChIInChI=1S/C22H16N2O2/c25-22(26)19-11-5-9-17(13-19)16-8-4-10-18(12-16)21-14-20(23-24-21)15-6-2-1-3-7-15/h1-14H,(H,23,24)(H,25,26)
InChIKeyBPCGAPLCKBGCIB-UHFFFAOYSA-N
XLogP5.11
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.38
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]benzoic acid
CID 141357492
3-[3-(3-carboxyphenyl)phenyl]benzoic acid
CID 12023925
3-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]benzoic acid
CID 141357516
3-[5-[2-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]benzoic acid
CID 141357507
3-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]benzoic acid
CID 141357527
3-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]benzoic acid
CID 141357487
3-[5-(2,5-difluorophenyl)-1H-pyrazol-3-yl]benzoic acid
CID 141357515
1-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]ethanone
CID 155037922
3-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]benzoic acid
CID 141357520
3-phenylbenzoic acid;4-phenylbenzoic acid
CID 161256783
ethane;methyl 4-[3-[3-[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-5-yl]benzoate
CID 144790688
N-[4-[3-[3-[5-(4-acetamidophenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-5-yl]phenyl]acetamide
CID 118529604

Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]benzoic acid?
The IUPAC name of 3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]benzoic acid (CID 118577360) is 3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]benzoic acid.
What is the SMILES notation for 3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]benzoic acid?
The canonical SMILES for 3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]benzoic acid is O=C(O)c1cccc(-c2cccc(-c3cc(-c4ccccc4)[nH]n3)c2)c1.
What is the InChIKey of 3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]benzoic acid?
The InChIKey is BPCGAPLCKBGCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2/c25-22(26)19-11-5-9-17(13-19)16-8-4-10-18(12-16)21-14-20(23-24-21)15-6-2-1-3-7-15/h1-14H,(H,23,24)(H,25,26).
What are the key properties of 3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]benzoic acid?
3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]benzoic acid has a molecular weight of 340.38 g/mol, XLogP of 5.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]benzoic acid is sourced from PubChem (CID 118577360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).