pyridin-3-ylmethyl 2-(3-aminopyrazol-1-yl)acetate

C11H12N4O2 — CID 62111752

IUPACpyridin-3-ylmethyl 2-(3-aminopyrazol-1-yl)acetate
SMILESNc1ccn(CC(=O)OCc2cccnc2)n1
InChIInChI=1S/C11H12N4O2/c12-10-3-5-15(14-10)7-11(16)17-8-9-2-1-4-13-6-9/h1-6H,7-8H2,(H2,12,14)
InChIKeyAUDXFUGMLFGJAA-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.60
Rot. Bonds4

About pyridin-3-ylmethyl 2-(3-aminopyrazol-1-yl)acetate

pyridin-3-ylmethyl 2-(3-aminopyrazol-1-yl)acetate (PubChem CID 62111752) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is pyridin-3-ylmethyl 2-(3-aminopyrazol-1-yl)acetate.

Molecular Properties

Compound Namepyridin-3-ylmethyl 2-(3-aminopyrazol-1-yl)acetate
PubChem CID62111752
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Namepyridin-3-ylmethyl 2-(3-aminopyrazol-1-yl)acetate
SMILESNc1ccn(CC(=O)OCc2cccnc2)n1
InChIInChI=1S/C11H12N4O2/c12-10-3-5-15(14-10)7-11(16)17-8-9-2-1-4-13-6-9/h1-6H,7-8H2,(H2,12,14)
InChIKeyAUDXFUGMLFGJAA-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-3-ylmethyl 2-(3-aminopyrazol-1-yl)acetate?
The IUPAC name of pyridin-3-ylmethyl 2-(3-aminopyrazol-1-yl)acetate (CID 62111752) is pyridin-3-ylmethyl 2-(3-aminopyrazol-1-yl)acetate.
What is the SMILES notation for pyridin-3-ylmethyl 2-(3-aminopyrazol-1-yl)acetate?
The canonical SMILES for pyridin-3-ylmethyl 2-(3-aminopyrazol-1-yl)acetate is Nc1ccn(CC(=O)OCc2cccnc2)n1.
What is the InChIKey of pyridin-3-ylmethyl 2-(3-aminopyrazol-1-yl)acetate?
The InChIKey is AUDXFUGMLFGJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c12-10-3-5-15(14-10)7-11(16)17-8-9-2-1-4-13-6-9/h1-6H,7-8H2,(H2,12,14).
What are the key properties of pyridin-3-ylmethyl 2-(3-aminopyrazol-1-yl)acetate?
pyridin-3-ylmethyl 2-(3-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-3-ylmethyl 2-(3-aminopyrazol-1-yl)acetate is sourced from PubChem (CID 62111752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).