methyl 2-[4-(5-hydroxy-3-pyridinyl)pyrazol-1-yl]acetate

C11H11N3O3 — CID 175663678

IUPACmethyl 2-[4-(5-hydroxy-3-pyridinyl)pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1cc(-c2cncc(O)c2)cn1
InChIInChI=1S/C11H11N3O3/c1-17-11(16)7-14-6-9(4-13-14)8-2-10(15)5-12-3-8/h2-6,15H,7H2,1H3
InChIKeyBKJTWRUCYDFWOP-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.82
Rot. Bonds3

About methyl 2-[4-(5-hydroxy-3-pyridinyl)pyrazol-1-yl]acetate

methyl 2-[4-(5-hydroxy-3-pyridinyl)pyrazol-1-yl]acetate (PubChem CID 175663678) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is methyl 2-[4-(5-hydroxy-3-pyridinyl)pyrazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(5-hydroxy-3-pyridinyl)pyrazol-1-yl]acetate
PubChem CID175663678
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Namemethyl 2-[4-(5-hydroxy-3-pyridinyl)pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1cc(-c2cncc(O)c2)cn1
InChIInChI=1S/C11H11N3O3/c1-17-11(16)7-14-6-9(4-13-14)8-2-10(15)5-12-3-8/h2-6,15H,7H2,1H3
InChIKeyBKJTWRUCYDFWOP-UHFFFAOYSA-N
XLogP0.82
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(5-hydroxy-3-pyridinyl)pyrazol-1-yl]acetate?
The IUPAC name of methyl 2-[4-(5-hydroxy-3-pyridinyl)pyrazol-1-yl]acetate (CID 175663678) is methyl 2-[4-(5-hydroxy-3-pyridinyl)pyrazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-(5-hydroxy-3-pyridinyl)pyrazol-1-yl]acetate?
The canonical SMILES for methyl 2-[4-(5-hydroxy-3-pyridinyl)pyrazol-1-yl]acetate is COC(=O)Cn1cc(-c2cncc(O)c2)cn1.
What is the InChIKey of methyl 2-[4-(5-hydroxy-3-pyridinyl)pyrazol-1-yl]acetate?
The InChIKey is BKJTWRUCYDFWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-17-11(16)7-14-6-9(4-13-14)8-2-10(15)5-12-3-8/h2-6,15H,7H2,1H3.
What are the key properties of methyl 2-[4-(5-hydroxy-3-pyridinyl)pyrazol-1-yl]acetate?
methyl 2-[4-(5-hydroxy-3-pyridinyl)pyrazol-1-yl]acetate has a molecular weight of 233.23 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(5-hydroxy-3-pyridinyl)pyrazol-1-yl]acetate is sourced from PubChem (CID 175663678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).