5-(2,4-dimethylphenyl)-1-(3-methylphenyl)pyrazole-3-carboxylic acid

C19H18N2O2 — CID 23934125

IUPAC5-(2,4-dimethylphenyl)-1-(3-methylphenyl)pyrazole-3-carboxylic acid
SMILESCc1cccc(-n2nc(C(=O)O)cc2-c2ccc(C)cc2C)c1
InChIInChI=1S/C19H18N2O2/c1-12-5-4-6-15(10-12)21-18(11-17(20-21)19(22)23)16-8-7-13(2)9-14(16)3/h4-11H,1-3H3,(H,22,23)
InChIKeyYNHYYXCVKADJHU-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.16
Rot. Bonds3

About 5-(2,4-dimethylphenyl)-1-(3-methylphenyl)pyrazole-3-carboxylic acid

5-(2,4-dimethylphenyl)-1-(3-methylphenyl)pyrazole-3-carboxylic acid (PubChem CID 23934125) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-(2,4-dimethylphenyl)-1-(3-methylphenyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2,4-dimethylphenyl)-1-(3-methylphenyl)pyrazole-3-carboxylic acid
PubChem CID23934125
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name5-(2,4-dimethylphenyl)-1-(3-methylphenyl)pyrazole-3-carboxylic acid
SMILESCc1cccc(-n2nc(C(=O)O)cc2-c2ccc(C)cc2C)c1
InChIInChI=1S/C19H18N2O2/c1-12-5-4-6-15(10-12)21-18(11-17(20-21)19(22)23)16-8-7-13(2)9-14(16)3/h4-11H,1-3H3,(H,22,23)
InChIKeyYNHYYXCVKADJHU-UHFFFAOYSA-N
XLogP4.16
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylphenyl)-1-(3-methylphenyl)pyrazole-3-carboxylic acid?
The IUPAC name of 5-(2,4-dimethylphenyl)-1-(3-methylphenyl)pyrazole-3-carboxylic acid (CID 23934125) is 5-(2,4-dimethylphenyl)-1-(3-methylphenyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(2,4-dimethylphenyl)-1-(3-methylphenyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 5-(2,4-dimethylphenyl)-1-(3-methylphenyl)pyrazole-3-carboxylic acid is Cc1cccc(-n2nc(C(=O)O)cc2-c2ccc(C)cc2C)c1.
What is the InChIKey of 5-(2,4-dimethylphenyl)-1-(3-methylphenyl)pyrazole-3-carboxylic acid?
The InChIKey is YNHYYXCVKADJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-12-5-4-6-15(10-12)21-18(11-17(20-21)19(22)23)16-8-7-13(2)9-14(16)3/h4-11H,1-3H3,(H,22,23).
What are the key properties of 5-(2,4-dimethylphenyl)-1-(3-methylphenyl)pyrazole-3-carboxylic acid?
5-(2,4-dimethylphenyl)-1-(3-methylphenyl)pyrazole-3-carboxylic acid has a molecular weight of 306.37 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylphenyl)-1-(3-methylphenyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 23934125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).