3-(4-methoxyphenyl)-1-pyridin-2-ylpyrazole-5-carboxylic acid

C16H13N3O3 — CID 15956853

IUPAC3-(4-methoxyphenyl)-1-pyridin-2-ylpyrazole-5-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)n(-c3ccccn3)n2)cc1
InChIInChI=1S/C16H13N3O3/c1-22-12-7-5-11(6-8-12)13-10-14(16(20)21)19(18-13)15-4-2-3-9-17-15/h2-10H,1H3,(H,20,21)
InChIKeyZLYCQXNQWRAXQV-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.64
Rot. Bonds4

About 3-(4-methoxyphenyl)-1-pyridin-2-ylpyrazole-5-carboxylic acid

3-(4-methoxyphenyl)-1-pyridin-2-ylpyrazole-5-carboxylic acid (PubChem CID 15956853) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-pyridin-2-ylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-pyridin-2-ylpyrazole-5-carboxylic acid
PubChem CID15956853
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name3-(4-methoxyphenyl)-1-pyridin-2-ylpyrazole-5-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)n(-c3ccccn3)n2)cc1
InChIInChI=1S/C16H13N3O3/c1-22-12-7-5-11(6-8-12)13-10-14(16(20)21)19(18-13)15-4-2-3-9-17-15/h2-10H,1H3,(H,20,21)
InChIKeyZLYCQXNQWRAXQV-UHFFFAOYSA-N
XLogP2.64
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-pyridin-2-ylpyrazole-5-carboxylic acid?
The IUPAC name of 3-(4-methoxyphenyl)-1-pyridin-2-ylpyrazole-5-carboxylic acid (CID 15956853) is 3-(4-methoxyphenyl)-1-pyridin-2-ylpyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-pyridin-2-ylpyrazole-5-carboxylic acid?
The canonical SMILES for 3-(4-methoxyphenyl)-1-pyridin-2-ylpyrazole-5-carboxylic acid is COc1ccc(-c2cc(C(=O)O)n(-c3ccccn3)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-pyridin-2-ylpyrazole-5-carboxylic acid?
The InChIKey is ZLYCQXNQWRAXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-22-12-7-5-11(6-8-12)13-10-14(16(20)21)19(18-13)15-4-2-3-9-17-15/h2-10H,1H3,(H,20,21).
What are the key properties of 3-(4-methoxyphenyl)-1-pyridin-2-ylpyrazole-5-carboxylic acid?
3-(4-methoxyphenyl)-1-pyridin-2-ylpyrazole-5-carboxylic acid has a molecular weight of 295.30 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-pyridin-2-ylpyrazole-5-carboxylic acid is sourced from PubChem (CID 15956853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).