4-methoxy-1-methyl-3-(4-pyridin-3-ylphenyl)pyrazole-5-carboxylic acid

C17H15N3O3 — CID 58188601

IUPAC4-methoxy-1-methyl-3-(4-pyridin-3-ylphenyl)pyrazole-5-carboxylic acid
SMILESCOc1c(-c2ccc(-c3cccnc3)cc2)nn(C)c1C(=O)O
InChIInChI=1S/C17H15N3O3/c1-20-15(17(21)22)16(23-2)14(19-20)12-7-5-11(6-8-12)13-4-3-9-18-10-13/h3-10H,1-2H3,(H,21,22)
InChIKeyMASOHOMWNLQDBK-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.86
Rot. Bonds4

About 4-methoxy-1-methyl-3-(4-pyridin-3-ylphenyl)pyrazole-5-carboxylic acid

4-methoxy-1-methyl-3-(4-pyridin-3-ylphenyl)pyrazole-5-carboxylic acid (PubChem CID 58188601) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 4-methoxy-1-methyl-3-(4-pyridin-3-ylphenyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-methyl-3-(4-pyridin-3-ylphenyl)pyrazole-5-carboxylic acid
PubChem CID58188601
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name4-methoxy-1-methyl-3-(4-pyridin-3-ylphenyl)pyrazole-5-carboxylic acid
SMILESCOc1c(-c2ccc(-c3cccnc3)cc2)nn(C)c1C(=O)O
InChIInChI=1S/C17H15N3O3/c1-20-15(17(21)22)16(23-2)14(19-20)12-7-5-11(6-8-12)13-4-3-9-18-10-13/h3-10H,1-2H3,(H,21,22)
InChIKeyMASOHOMWNLQDBK-UHFFFAOYSA-N
XLogP2.86
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-methyl-3-(4-pyridin-3-ylphenyl)pyrazole-5-carboxylic acid?
The IUPAC name of 4-methoxy-1-methyl-3-(4-pyridin-3-ylphenyl)pyrazole-5-carboxylic acid (CID 58188601) is 4-methoxy-1-methyl-3-(4-pyridin-3-ylphenyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-methyl-3-(4-pyridin-3-ylphenyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 4-methoxy-1-methyl-3-(4-pyridin-3-ylphenyl)pyrazole-5-carboxylic acid is COc1c(-c2ccc(-c3cccnc3)cc2)nn(C)c1C(=O)O.
What is the InChIKey of 4-methoxy-1-methyl-3-(4-pyridin-3-ylphenyl)pyrazole-5-carboxylic acid?
The InChIKey is MASOHOMWNLQDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-20-15(17(21)22)16(23-2)14(19-20)12-7-5-11(6-8-12)13-4-3-9-18-10-13/h3-10H,1-2H3,(H,21,22).
What are the key properties of 4-methoxy-1-methyl-3-(4-pyridin-3-ylphenyl)pyrazole-5-carboxylic acid?
4-methoxy-1-methyl-3-(4-pyridin-3-ylphenyl)pyrazole-5-carboxylic acid has a molecular weight of 309.33 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methyl-3-(4-pyridin-3-ylphenyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 58188601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).