pyridin-2-ylmethyl 2-(4-aminopyrazol-1-yl)acetate

C11H12N4O2 — CID 61315029

IUPACpyridin-2-ylmethyl 2-(4-aminopyrazol-1-yl)acetate
SMILESNc1cnn(CC(=O)OCc2ccccn2)c1
InChIInChI=1S/C11H12N4O2/c12-9-5-14-15(6-9)7-11(16)17-8-10-3-1-2-4-13-10/h1-6H,7-8,12H2
InChIKeyBMCDPXMYGBMZDW-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.60
Rot. Bonds4

About pyridin-2-ylmethyl 2-(4-aminopyrazol-1-yl)acetate

pyridin-2-ylmethyl 2-(4-aminopyrazol-1-yl)acetate (PubChem CID 61315029) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is pyridin-2-ylmethyl 2-(4-aminopyrazol-1-yl)acetate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 2-(4-aminopyrazol-1-yl)acetate
PubChem CID61315029
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Namepyridin-2-ylmethyl 2-(4-aminopyrazol-1-yl)acetate
SMILESNc1cnn(CC(=O)OCc2ccccn2)c1
InChIInChI=1S/C11H12N4O2/c12-9-5-14-15(6-9)7-11(16)17-8-10-3-1-2-4-13-10/h1-6H,7-8,12H2
InChIKeyBMCDPXMYGBMZDW-UHFFFAOYSA-N
XLogP0.60
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 2-(4-aminopyrazol-1-yl)acetate?
The IUPAC name of pyridin-2-ylmethyl 2-(4-aminopyrazol-1-yl)acetate (CID 61315029) is pyridin-2-ylmethyl 2-(4-aminopyrazol-1-yl)acetate.
What is the SMILES notation for pyridin-2-ylmethyl 2-(4-aminopyrazol-1-yl)acetate?
The canonical SMILES for pyridin-2-ylmethyl 2-(4-aminopyrazol-1-yl)acetate is Nc1cnn(CC(=O)OCc2ccccn2)c1.
What is the InChIKey of pyridin-2-ylmethyl 2-(4-aminopyrazol-1-yl)acetate?
The InChIKey is BMCDPXMYGBMZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c12-9-5-14-15(6-9)7-11(16)17-8-10-3-1-2-4-13-10/h1-6H,7-8,12H2.
What are the key properties of pyridin-2-ylmethyl 2-(4-aminopyrazol-1-yl)acetate?
pyridin-2-ylmethyl 2-(4-aminopyrazol-1-yl)acetate has a molecular weight of 232.24 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 2-(4-aminopyrazol-1-yl)acetate is sourced from PubChem (CID 61315029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).