2-(4-chloropyrazol-1-yl)-3-(6-methoxy-2-pyridinyl)-2-methylpropanoic acid

C13H14ClN3O3 — CID 167825097

IUPAC2-(4-chloropyrazol-1-yl)-3-(6-methoxy-2-pyridinyl)-2-methylpropanoic acid
SMILESCOc1cccc(CC(C)(C(=O)O)n2cc(Cl)cn2)n1
InChIInChI=1S/C13H14ClN3O3/c1-13(12(18)19,17-8-9(14)7-15-17)6-10-4-3-5-11(16-10)20-2/h3-5,7-8H,6H2,1-2H3,(H,18,19)
InChIKeyIANMAXFTGHUSDV-UHFFFAOYSA-N
MW295.73 g/mol
LogP1.98
Rot. Bonds5

About 2-(4-chloropyrazol-1-yl)-3-(6-methoxy-2-pyridinyl)-2-methylpropanoic acid

2-(4-chloropyrazol-1-yl)-3-(6-methoxy-2-pyridinyl)-2-methylpropanoic acid (PubChem CID 167825097) has the molecular formula C13H14ClN3O3 and a molecular weight of 295.73 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-3-(6-methoxy-2-pyridinyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-3-(6-methoxy-2-pyridinyl)-2-methylpropanoic acid
PubChem CID167825097
Molecular FormulaC13H14ClN3O3
Molecular Weight295.73 g/mol
Exact Mass295.07
IUPAC Name2-(4-chloropyrazol-1-yl)-3-(6-methoxy-2-pyridinyl)-2-methylpropanoic acid
SMILESCOc1cccc(CC(C)(C(=O)O)n2cc(Cl)cn2)n1
InChIInChI=1S/C13H14ClN3O3/c1-13(12(18)19,17-8-9(14)7-15-17)6-10-4-3-5-11(16-10)20-2/h3-5,7-8H,6H2,1-2H3,(H,18,19)
InChIKeyIANMAXFTGHUSDV-UHFFFAOYSA-N
XLogP1.98
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-3-(6-methoxy-2-pyridinyl)-2-methylpropanoic acid?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-3-(6-methoxy-2-pyridinyl)-2-methylpropanoic acid (CID 167825097) is 2-(4-chloropyrazol-1-yl)-3-(6-methoxy-2-pyridinyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-3-(6-methoxy-2-pyridinyl)-2-methylpropanoic acid?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-3-(6-methoxy-2-pyridinyl)-2-methylpropanoic acid is COc1cccc(CC(C)(C(=O)O)n2cc(Cl)cn2)n1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-3-(6-methoxy-2-pyridinyl)-2-methylpropanoic acid?
The InChIKey is IANMAXFTGHUSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3/c1-13(12(18)19,17-8-9(14)7-15-17)6-10-4-3-5-11(16-10)20-2/h3-5,7-8H,6H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-chloropyrazol-1-yl)-3-(6-methoxy-2-pyridinyl)-2-methylpropanoic acid?
2-(4-chloropyrazol-1-yl)-3-(6-methoxy-2-pyridinyl)-2-methylpropanoic acid has a molecular weight of 295.73 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-3-(6-methoxy-2-pyridinyl)-2-methylpropanoic acid is sourced from PubChem (CID 167825097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).