1-(2-methoxyphenyl)-3-methyl-5-(4-methylphenyl)pyrazole-4-carboxylic acid

C19H18N2O3 — CID 82072143

IUPAC1-(2-methoxyphenyl)-3-methyl-5-(4-methylphenyl)pyrazole-4-carboxylic acid
SMILESCOc1ccccc1-n1nc(C)c(C(=O)O)c1-c1ccc(C)cc1
InChIInChI=1S/C19H18N2O3/c1-12-8-10-14(11-9-12)18-17(19(22)23)13(2)20-21(18)15-6-4-5-7-16(15)24-3/h4-11H,1-3H3,(H,22,23)
InChIKeyXWPXHEULZASNNP-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.86
Rot. Bonds4

About 1-(2-methoxyphenyl)-3-methyl-5-(4-methylphenyl)pyrazole-4-carboxylic acid

1-(2-methoxyphenyl)-3-methyl-5-(4-methylphenyl)pyrazole-4-carboxylic acid (PubChem CID 82072143) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-methyl-5-(4-methylphenyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-methyl-5-(4-methylphenyl)pyrazole-4-carboxylic acid
PubChem CID82072143
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name1-(2-methoxyphenyl)-3-methyl-5-(4-methylphenyl)pyrazole-4-carboxylic acid
SMILESCOc1ccccc1-n1nc(C)c(C(=O)O)c1-c1ccc(C)cc1
InChIInChI=1S/C19H18N2O3/c1-12-8-10-14(11-9-12)18-17(19(22)23)13(2)20-21(18)15-6-4-5-7-16(15)24-3/h4-11H,1-3H3,(H,22,23)
InChIKeyXWPXHEULZASNNP-UHFFFAOYSA-N
XLogP3.86
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-5-phenyltriazole-4-carboxylic acid
CID 56768648
5-chloro-1-(2-methoxyphenyl)-3-propan-2-ylpyrazole-4-carboxylic acid
CID 63033151
1-(2-methoxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
CID 71563706
1,3-bis(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 3816890
5-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-carboxylic acid
CID 58962984
1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazole-4-carboxylic acid
CID 39375252
3-methyl-5-(4-nitrophenyl)-1-phenylpyrazole-4-carboxylic acid
CID 15448847
1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxylic acid
CID 46708109
1-(3,4-dimethylphenyl)-3-(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 3859853
1-(2-methoxyphenyl)-5-pyridin-4-yltriazole-4-carboxylic acid
CID 45030984
5-(4-ethoxyphenyl)-3-methyl-1-pyridin-2-ylpyrazole-4-carboxylic acid
CID 82072302
ethyl 2-(2-methoxyphenyl)-4,5-dimethylpyrazole-3-carboxylate
CID 139229097

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-methyl-5-(4-methylphenyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(2-methoxyphenyl)-3-methyl-5-(4-methylphenyl)pyrazole-4-carboxylic acid (CID 82072143) is 1-(2-methoxyphenyl)-3-methyl-5-(4-methylphenyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-methyl-5-(4-methylphenyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(2-methoxyphenyl)-3-methyl-5-(4-methylphenyl)pyrazole-4-carboxylic acid is COc1ccccc1-n1nc(C)c(C(=O)O)c1-c1ccc(C)cc1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-methyl-5-(4-methylphenyl)pyrazole-4-carboxylic acid?
The InChIKey is XWPXHEULZASNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12-8-10-14(11-9-12)18-17(19(22)23)13(2)20-21(18)15-6-4-5-7-16(15)24-3/h4-11H,1-3H3,(H,22,23).
What are the key properties of 1-(2-methoxyphenyl)-3-methyl-5-(4-methylphenyl)pyrazole-4-carboxylic acid?
1-(2-methoxyphenyl)-3-methyl-5-(4-methylphenyl)pyrazole-4-carboxylic acid has a molecular weight of 322.36 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-methyl-5-(4-methylphenyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 82072143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).