5-(2,6-dimethoxyphenyl)-1-naphthalen-1-ylpyrazole-3-carboxylic acid

C22H18N2O4 — CID 118395913

IUPAC5-(2,6-dimethoxyphenyl)-1-naphthalen-1-ylpyrazole-3-carboxylic acid
SMILESCOc1cccc(OC)c1-c1cc(C(=O)O)nn1-c1cccc2ccccc12
InChIInChI=1S/C22H18N2O4/c1-27-19-11-6-12-20(28-2)21(19)18-13-16(22(25)26)23-24(18)17-10-5-8-14-7-3-4-9-15(14)17/h3-13H,1-2H3,(H,25,26)
InChIKeyRDGKYGXCAXELEK-UHFFFAOYSA-N
MW374.40 g/mol
LogP4.41
Rot. Bonds5

About 5-(2,6-dimethoxyphenyl)-1-naphthalen-1-ylpyrazole-3-carboxylic acid

5-(2,6-dimethoxyphenyl)-1-naphthalen-1-ylpyrazole-3-carboxylic acid (PubChem CID 118395913) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is 5-(2,6-dimethoxyphenyl)-1-naphthalen-1-ylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2,6-dimethoxyphenyl)-1-naphthalen-1-ylpyrazole-3-carboxylic acid
PubChem CID118395913
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Name5-(2,6-dimethoxyphenyl)-1-naphthalen-1-ylpyrazole-3-carboxylic acid
SMILESCOc1cccc(OC)c1-c1cc(C(=O)O)nn1-c1cccc2ccccc12
InChIInChI=1S/C22H18N2O4/c1-27-19-11-6-12-20(28-2)21(19)18-13-16(22(25)26)23-24(18)17-10-5-8-14-7-3-4-9-15(14)17/h3-13H,1-2H3,(H,25,26)
InChIKeyRDGKYGXCAXELEK-UHFFFAOYSA-N
XLogP4.41
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cyclohexyl-[5-(2,6-dimethoxyphenyl)-1-naphthalen-1-ylpyrazol-3-yl]methanone
CID 118395875
5-(2,6-dimethoxyphenyl)-1-[4-(methylcarbamoyl)naphthalen-1-yl]pyrazole-3-carboxylic acid
CID 23364588
1-(2-amino-1,3-dioxobenzo[de]isoquinolin-6-yl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid
CID 23364597
5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid
CID 118395944
1-(3-carboxy-4-chlorophenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid
CID 22111795
1-(2-chlorophenyl)-5-(2-methoxyphenyl)pyrazole-3-carboxylic acid
CID 82220353
1-(2-methoxyphenyl)-5-propylpyrazole-3-carboxylic acid
CID 82361800
1-(2-methoxyphenyl)-5-pentan-3-ylpyrazole-3-carboxylic acid
CID 82361926
methyl 1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylate
CID 66781547
1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxylic acid
CID 46708109
2-[[1-(4-carbamoylnaphthalen-1-yl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid
CID 15291988
2-[[1-(4-carbamoylnaphthalen-1-yl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]-2-cyclohexylacetic acid
CID 23364593

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethoxyphenyl)-1-naphthalen-1-ylpyrazole-3-carboxylic acid?
The IUPAC name of 5-(2,6-dimethoxyphenyl)-1-naphthalen-1-ylpyrazole-3-carboxylic acid (CID 118395913) is 5-(2,6-dimethoxyphenyl)-1-naphthalen-1-ylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(2,6-dimethoxyphenyl)-1-naphthalen-1-ylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-(2,6-dimethoxyphenyl)-1-naphthalen-1-ylpyrazole-3-carboxylic acid is COc1cccc(OC)c1-c1cc(C(=O)O)nn1-c1cccc2ccccc12.
What is the InChIKey of 5-(2,6-dimethoxyphenyl)-1-naphthalen-1-ylpyrazole-3-carboxylic acid?
The InChIKey is RDGKYGXCAXELEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-27-19-11-6-12-20(28-2)21(19)18-13-16(22(25)26)23-24(18)17-10-5-8-14-7-3-4-9-15(14)17/h3-13H,1-2H3,(H,25,26).
What are the key properties of 5-(2,6-dimethoxyphenyl)-1-naphthalen-1-ylpyrazole-3-carboxylic acid?
5-(2,6-dimethoxyphenyl)-1-naphthalen-1-ylpyrazole-3-carboxylic acid has a molecular weight of 374.40 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethoxyphenyl)-1-naphthalen-1-ylpyrazole-3-carboxylic acid is sourced from PubChem (CID 118395913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).