4-[5-(4-methoxyphenyl)-3-phenylpyrazol-1-yl]benzoic acid

C23H18N2O3 — CID 164627570

IUPAC4-[5-(4-methoxyphenyl)-3-phenylpyrazol-1-yl]benzoic acid
SMILESCOc1ccc(-c2cc(-c3ccccc3)nn2-c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C23H18N2O3/c1-28-20-13-9-17(10-14-20)22-15-21(16-5-3-2-4-6-16)24-25(22)19-11-7-18(8-12-19)23(26)27/h2-15H,1H3,(H,26,27)
InChIKeyONOKUOHNSADBLN-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.91
Rot. Bonds5

About 4-[5-(4-methoxyphenyl)-3-phenylpyrazol-1-yl]benzoic acid

4-[5-(4-methoxyphenyl)-3-phenylpyrazol-1-yl]benzoic acid (PubChem CID 164627570) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-[5-(4-methoxyphenyl)-3-phenylpyrazol-1-yl]benzoic acid.

Molecular Properties

Compound Name4-[5-(4-methoxyphenyl)-3-phenylpyrazol-1-yl]benzoic acid
PubChem CID164627570
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name4-[5-(4-methoxyphenyl)-3-phenylpyrazol-1-yl]benzoic acid
SMILESCOc1ccc(-c2cc(-c3ccccc3)nn2-c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C23H18N2O3/c1-28-20-13-9-17(10-14-20)22-15-21(16-5-3-2-4-6-16)24-25(22)19-11-7-18(8-12-19)23(26)27/h2-15H,1H3,(H,26,27)
InChIKeyONOKUOHNSADBLN-UHFFFAOYSA-N
XLogP4.91
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methoxyphenyl)-3-phenylpyrazol-1-yl]benzoic acid?
The IUPAC name of 4-[5-(4-methoxyphenyl)-3-phenylpyrazol-1-yl]benzoic acid (CID 164627570) is 4-[5-(4-methoxyphenyl)-3-phenylpyrazol-1-yl]benzoic acid.
What is the SMILES notation for 4-[5-(4-methoxyphenyl)-3-phenylpyrazol-1-yl]benzoic acid?
The canonical SMILES for 4-[5-(4-methoxyphenyl)-3-phenylpyrazol-1-yl]benzoic acid is COc1ccc(-c2cc(-c3ccccc3)nn2-c2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[5-(4-methoxyphenyl)-3-phenylpyrazol-1-yl]benzoic acid?
The InChIKey is ONOKUOHNSADBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c1-28-20-13-9-17(10-14-20)22-15-21(16-5-3-2-4-6-16)24-25(22)19-11-7-18(8-12-19)23(26)27/h2-15H,1H3,(H,26,27).
What are the key properties of 4-[5-(4-methoxyphenyl)-3-phenylpyrazol-1-yl]benzoic acid?
4-[5-(4-methoxyphenyl)-3-phenylpyrazol-1-yl]benzoic acid has a molecular weight of 370.41 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methoxyphenyl)-3-phenylpyrazol-1-yl]benzoic acid is sourced from PubChem (CID 164627570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).