3-(6-methoxy-2-pyridinyl)-2-methyl-2-pyrazol-1-ylpropanoic acid

C13H15N3O3 — CID 139017088

IUPAC3-(6-methoxy-2-pyridinyl)-2-methyl-2-pyrazol-1-ylpropanoic acid
SMILESCOc1cccc(CC(C)(C(=O)O)n2cccn2)n1
InChIInChI=1S/C13H15N3O3/c1-13(12(17)18,16-8-4-7-14-16)9-10-5-3-6-11(15-10)19-2/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyXJLHYWHRUFRTJK-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.33
Rot. Bonds5

About 3-(6-methoxy-2-pyridinyl)-2-methyl-2-pyrazol-1-ylpropanoic acid

3-(6-methoxy-2-pyridinyl)-2-methyl-2-pyrazol-1-ylpropanoic acid (PubChem CID 139017088) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-(6-methoxy-2-pyridinyl)-2-methyl-2-pyrazol-1-ylpropanoic acid.

Molecular Properties

Compound Name3-(6-methoxy-2-pyridinyl)-2-methyl-2-pyrazol-1-ylpropanoic acid
PubChem CID139017088
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name3-(6-methoxy-2-pyridinyl)-2-methyl-2-pyrazol-1-ylpropanoic acid
SMILESCOc1cccc(CC(C)(C(=O)O)n2cccn2)n1
InChIInChI=1S/C13H15N3O3/c1-13(12(17)18,16-8-4-7-14-16)9-10-5-3-6-11(15-10)19-2/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyXJLHYWHRUFRTJK-UHFFFAOYSA-N
XLogP1.33
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-2-pyridinyl)-2-methyl-2-pyrazol-1-ylpropanoic acid?
The IUPAC name of 3-(6-methoxy-2-pyridinyl)-2-methyl-2-pyrazol-1-ylpropanoic acid (CID 139017088) is 3-(6-methoxy-2-pyridinyl)-2-methyl-2-pyrazol-1-ylpropanoic acid.
What is the SMILES notation for 3-(6-methoxy-2-pyridinyl)-2-methyl-2-pyrazol-1-ylpropanoic acid?
The canonical SMILES for 3-(6-methoxy-2-pyridinyl)-2-methyl-2-pyrazol-1-ylpropanoic acid is COc1cccc(CC(C)(C(=O)O)n2cccn2)n1.
What is the InChIKey of 3-(6-methoxy-2-pyridinyl)-2-methyl-2-pyrazol-1-ylpropanoic acid?
The InChIKey is XJLHYWHRUFRTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-13(12(17)18,16-8-4-7-14-16)9-10-5-3-6-11(15-10)19-2/h3-8H,9H2,1-2H3,(H,17,18).
What are the key properties of 3-(6-methoxy-2-pyridinyl)-2-methyl-2-pyrazol-1-ylpropanoic acid?
3-(6-methoxy-2-pyridinyl)-2-methyl-2-pyrazol-1-ylpropanoic acid has a molecular weight of 261.28 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-2-pyridinyl)-2-methyl-2-pyrazol-1-ylpropanoic acid is sourced from PubChem (CID 139017088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).