5-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole-3-carboxylic acid

C18H16N2O3 — CID 23796339

IUPAC5-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole-3-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)nn2-c2ccc(C)cc2)cc1
InChIInChI=1S/C18H16N2O3/c1-12-3-7-14(8-4-12)20-17(11-16(19-20)18(21)22)13-5-9-15(23-2)10-6-13/h3-11H,1-2H3,(H,21,22)
InChIKeyKFCHEYZMCXGTHC-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.55
Rot. Bonds4

About 5-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole-3-carboxylic acid

5-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole-3-carboxylic acid (PubChem CID 23796339) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole-3-carboxylic acid
PubChem CID23796339
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name5-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole-3-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)nn2-c2ccc(C)cc2)cc1
InChIInChI=1S/C18H16N2O3/c1-12-3-7-14(8-4-12)20-17(11-16(19-20)18(21)22)13-5-9-15(23-2)10-6-13/h3-11H,1-2H3,(H,21,22)
InChIKeyKFCHEYZMCXGTHC-UHFFFAOYSA-N
XLogP3.55
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid
CID 750186
1,5-diphenyl-1H-pyrazole-3-carboxylic acid
CID 869152
3-(4-Methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 1085887
TC Lpa5 4
CID 66552906
4-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazole-3-carboxylic acid
CID 1478012
1-(3-Methylphenyl)-5-Phenyl-1h-Pyrazole-3-Carboxylic Acid
CID 869081
3-[1-{[(4-hydroxyphenyl)carbonyl]amino}-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]propanoic acid
CID 1319172
ethyl 5-(benzoyloxy)-1-phenyl-1H-pyrazole-3-carboxylate
CID 1251498
3-(4-Methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 788035
3-[1-(4-acetylphenyl)-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]propanoic acid
CID 2083607
3-[1-(4-Methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-2-(4-methylphenyl)propanoic acid
CID 10320262
2-(4-Methoxyphenyl)-3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]propanoic acid
CID 10366068

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole-3-carboxylic acid?
The IUPAC name of 5-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole-3-carboxylic acid (CID 23796339) is 5-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 5-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole-3-carboxylic acid is COc1ccc(-c2cc(C(=O)O)nn2-c2ccc(C)cc2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole-3-carboxylic acid?
The InChIKey is KFCHEYZMCXGTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12-3-7-14(8-4-12)20-17(11-16(19-20)18(21)22)13-5-9-15(23-2)10-6-13/h3-11H,1-2H3,(H,21,22).
What are the key properties of 5-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole-3-carboxylic acid?
5-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole-3-carboxylic acid has a molecular weight of 308.34 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 23796339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).