1-(2-chlorophenyl)-5-(2-methoxyphenyl)pyrazole-3-carboxylic acid

C17H13ClN2O3 — CID 82220353

IUPAC1-(2-chlorophenyl)-5-(2-methoxyphenyl)pyrazole-3-carboxylic acid
SMILESCOc1ccccc1-c1cc(C(=O)O)nn1-c1ccccc1Cl
InChIInChI=1S/C17H13ClN2O3/c1-23-16-9-5-2-6-11(16)15-10-13(17(21)22)19-20(15)14-8-4-3-7-12(14)18/h2-10H,1H3,(H,21,22)
InChIKeyWCZDKKIAOXQHSZ-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.90
Rot. Bonds4

About 1-(2-chlorophenyl)-5-(2-methoxyphenyl)pyrazole-3-carboxylic acid

1-(2-chlorophenyl)-5-(2-methoxyphenyl)pyrazole-3-carboxylic acid (PubChem CID 82220353) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-(2-methoxyphenyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-(2-methoxyphenyl)pyrazole-3-carboxylic acid
PubChem CID82220353
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC Name1-(2-chlorophenyl)-5-(2-methoxyphenyl)pyrazole-3-carboxylic acid
SMILESCOc1ccccc1-c1cc(C(=O)O)nn1-c1ccccc1Cl
InChIInChI=1S/C17H13ClN2O3/c1-23-16-9-5-2-6-11(16)15-10-13(17(21)22)19-20(15)14-8-4-3-7-12(14)18/h2-10H,1H3,(H,21,22)
InChIKeyWCZDKKIAOXQHSZ-UHFFFAOYSA-N
XLogP3.90
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxylic acid
CID 43381485
5-(2,6-dimethoxyphenyl)-1-naphthalen-1-ylpyrazole-3-carboxylic acid
CID 118395913
1-(2-methoxyphenyl)-5-propylpyrazole-3-carboxylic acid
CID 82361800
1-[5-(2-methoxyphenyl)-1-methylpyrazol-3-yl]ethanone
CID 82128496
5-(2-hydroxy-3-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 136998005
1-(7-chloroquinolin-4-yl)-5-(2-methoxyphenyl)pyrazole-3-carboxamide
CID 118395954
1-(3-carboxy-4-chlorophenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid
CID 22111795
methyl 5-(2-methoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 62267837
1-(2-amino-1,3-dioxobenzo[de]isoquinolin-6-yl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid
CID 23364597
1-(2-methoxyphenyl)-5-pentan-3-ylpyrazole-3-carboxylic acid
CID 82361926
1-(2-chlorophenyl)-5-[5-(3-methylsulfonylphenyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxylic acid;methyl 1-(2-chlorophenyl)-5-[5-(3-methylsulfonylphenyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxylate
CID 158085140
1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxylic acid
CID 46708109

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-(2-methoxyphenyl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-(2-chlorophenyl)-5-(2-methoxyphenyl)pyrazole-3-carboxylic acid (CID 82220353) is 1-(2-chlorophenyl)-5-(2-methoxyphenyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(2-chlorophenyl)-5-(2-methoxyphenyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(2-chlorophenyl)-5-(2-methoxyphenyl)pyrazole-3-carboxylic acid is COc1ccccc1-c1cc(C(=O)O)nn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-5-(2-methoxyphenyl)pyrazole-3-carboxylic acid?
The InChIKey is WCZDKKIAOXQHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c1-23-16-9-5-2-6-11(16)15-10-13(17(21)22)19-20(15)14-8-4-3-7-12(14)18/h2-10H,1H3,(H,21,22).
What are the key properties of 1-(2-chlorophenyl)-5-(2-methoxyphenyl)pyrazole-3-carboxylic acid?
1-(2-chlorophenyl)-5-(2-methoxyphenyl)pyrazole-3-carboxylic acid has a molecular weight of 328.76 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-(2-methoxyphenyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 82220353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).