methyl 2-(5-amino-3-pyridin-4-ylpyrazol-1-yl)acetate

C11H12N4O2 — CID 67496798

IUPACmethyl 2-(5-amino-3-pyridin-4-ylpyrazol-1-yl)acetate
SMILESCOC(=O)Cn1nc(-c2ccncc2)cc1N
InChIInChI=1S/C11H12N4O2/c1-17-11(16)7-15-10(12)6-9(14-15)8-2-4-13-5-3-8/h2-6H,7,12H2,1H3
InChIKeyTZDGBKRBHIRVAW-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.70
Rot. Bonds3

About methyl 2-(5-amino-3-pyridin-4-ylpyrazol-1-yl)acetate

methyl 2-(5-amino-3-pyridin-4-ylpyrazol-1-yl)acetate (PubChem CID 67496798) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is methyl 2-(5-amino-3-pyridin-4-ylpyrazol-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-amino-3-pyridin-4-ylpyrazol-1-yl)acetate
PubChem CID67496798
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Namemethyl 2-(5-amino-3-pyridin-4-ylpyrazol-1-yl)acetate
SMILESCOC(=O)Cn1nc(-c2ccncc2)cc1N
InChIInChI=1S/C11H12N4O2/c1-17-11(16)7-15-10(12)6-9(14-15)8-2-4-13-5-3-8/h2-6H,7,12H2,1H3
InChIKeyTZDGBKRBHIRVAW-UHFFFAOYSA-N
XLogP0.70
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-amino-3-pyridin-4-ylpyrazol-1-yl)acetate?
The IUPAC name of methyl 2-(5-amino-3-pyridin-4-ylpyrazol-1-yl)acetate (CID 67496798) is methyl 2-(5-amino-3-pyridin-4-ylpyrazol-1-yl)acetate.
What is the SMILES notation for methyl 2-(5-amino-3-pyridin-4-ylpyrazol-1-yl)acetate?
The canonical SMILES for methyl 2-(5-amino-3-pyridin-4-ylpyrazol-1-yl)acetate is COC(=O)Cn1nc(-c2ccncc2)cc1N.
What is the InChIKey of methyl 2-(5-amino-3-pyridin-4-ylpyrazol-1-yl)acetate?
The InChIKey is TZDGBKRBHIRVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-17-11(16)7-15-10(12)6-9(14-15)8-2-4-13-5-3-8/h2-6H,7,12H2,1H3.
What are the key properties of methyl 2-(5-amino-3-pyridin-4-ylpyrazol-1-yl)acetate?
methyl 2-(5-amino-3-pyridin-4-ylpyrazol-1-yl)acetate has a molecular weight of 232.24 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-amino-3-pyridin-4-ylpyrazol-1-yl)acetate is sourced from PubChem (CID 67496798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).