3-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxylic acid

C18H14Cl2N2O3 — CID 3716463

IUPAC3-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxylic acid
SMILESCOc1ccc(-n2nc(-c3ccc(Cl)c(Cl)c3)c(C(=O)O)c2C)cc1
InChIInChI=1S/C18H14Cl2N2O3/c1-10-16(18(23)24)17(11-3-8-14(19)15(20)9-11)21-22(10)12-4-6-13(25-2)7-5-12/h3-9H,1-2H3,(H,23,24)
InChIKeyUFEUYMUUBXEGCS-UHFFFAOYSA-N
MW377.23 g/mol
LogP4.86
Rot. Bonds4

About 3-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxylic acid

3-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxylic acid (PubChem CID 3716463) has the molecular formula C18H14Cl2N2O3 and a molecular weight of 377.23 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxylic acid
PubChem CID3716463
Molecular FormulaC18H14Cl2N2O3
Molecular Weight377.23 g/mol
Exact Mass376.04
IUPAC Name3-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxylic acid
SMILESCOc1ccc(-n2nc(-c3ccc(Cl)c(Cl)c3)c(C(=O)O)c2C)cc1
InChIInChI=1S/C18H14Cl2N2O3/c1-10-16(18(23)24)17(11-3-8-14(19)15(20)9-11)21-22(10)12-4-6-13(25-2)7-5-12/h3-9H,1-2H3,(H,23,24)
InChIKeyUFEUYMUUBXEGCS-UHFFFAOYSA-N
XLogP4.86
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxylic acid?
The IUPAC name of 3-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxylic acid (CID 3716463) is 3-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 3-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxylic acid is COc1ccc(-n2nc(-c3ccc(Cl)c(Cl)c3)c(C(=O)O)c2C)cc1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxylic acid?
The InChIKey is UFEUYMUUBXEGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O3/c1-10-16(18(23)24)17(11-3-8-14(19)15(20)9-11)21-22(10)12-4-6-13(25-2)7-5-12/h3-9H,1-2H3,(H,23,24).
What are the key properties of 3-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxylic acid?
3-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxylic acid has a molecular weight of 377.23 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 3716463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).