4-methoxy-3-(5-phenyl-1H-pyrazol-4-yl)benzoic acid

C17H14N2O3 — CID 39222259

IUPAC4-methoxy-3-(5-phenyl-1H-pyrazol-4-yl)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1-c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C17H14N2O3/c1-22-15-8-7-12(17(20)21)9-13(15)14-10-18-19-16(14)11-5-3-2-4-6-11/h2-10H,1H3,(H,18,19)(H,20,21)
InChIKeyOLWUWQZAENYTRC-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.45
Rot. Bonds4

About 4-methoxy-3-(5-phenyl-1H-pyrazol-4-yl)benzoic acid

4-methoxy-3-(5-phenyl-1H-pyrazol-4-yl)benzoic acid (PubChem CID 39222259) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-methoxy-3-(5-phenyl-1H-pyrazol-4-yl)benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-(5-phenyl-1H-pyrazol-4-yl)benzoic acid
PubChem CID39222259
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name4-methoxy-3-(5-phenyl-1H-pyrazol-4-yl)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1-c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C17H14N2O3/c1-22-15-8-7-12(17(20)21)9-13(15)14-10-18-19-16(14)11-5-3-2-4-6-11/h2-10H,1H3,(H,18,19)(H,20,21)
InChIKeyOLWUWQZAENYTRC-UHFFFAOYSA-N
XLogP3.45
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 54391138
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4-methoxy-3-(2-nitrophenyl)benzoic acid
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4-(2-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 174686401
3-(3-fluorophenyl)-4-methoxybenzoic acid
CID 39349091
3-(3-bromophenyl)-4-methoxybenzoic acid
CID 115503797
3-(1H-indol-3-yl)-4-methoxybenzoic acid
CID 82039782
3-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]aniline
CID 73335294
3-(2-methoxyphenyl)benzoic acid
CID 2759547
methyl 4-methoxy-3-phenylbenzoate
CID 11010121
3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methoxybenzoic acid
CID 82039745
3-(1H-benzimidazol-2-yl)-4-methoxybenzoic acid
CID 168554913

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(5-phenyl-1H-pyrazol-4-yl)benzoic acid?
The IUPAC name of 4-methoxy-3-(5-phenyl-1H-pyrazol-4-yl)benzoic acid (CID 39222259) is 4-methoxy-3-(5-phenyl-1H-pyrazol-4-yl)benzoic acid.
What is the SMILES notation for 4-methoxy-3-(5-phenyl-1H-pyrazol-4-yl)benzoic acid?
The canonical SMILES for 4-methoxy-3-(5-phenyl-1H-pyrazol-4-yl)benzoic acid is COc1ccc(C(=O)O)cc1-c1cn[nH]c1-c1ccccc1.
What is the InChIKey of 4-methoxy-3-(5-phenyl-1H-pyrazol-4-yl)benzoic acid?
The InChIKey is OLWUWQZAENYTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-22-15-8-7-12(17(20)21)9-13(15)14-10-18-19-16(14)11-5-3-2-4-6-11/h2-10H,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-methoxy-3-(5-phenyl-1H-pyrazol-4-yl)benzoic acid?
4-methoxy-3-(5-phenyl-1H-pyrazol-4-yl)benzoic acid has a molecular weight of 294.31 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(5-phenyl-1H-pyrazol-4-yl)benzoic acid is sourced from PubChem (CID 39222259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).