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

C12H14N4O2 — CID 55035785

IUPAC2-pyridin-2-ylethyl 2-(3-aminopyrazol-1-yl)acetate
SMILESNc1ccn(CC(=O)OCCc2ccccn2)n1
InChIInChI=1S/C12H14N4O2/c13-11-4-7-16(15-11)9-12(17)18-8-5-10-3-1-2-6-14-10/h1-4,6-7H,5,8-9H2,(H2,13,15)
InChIKeyWADFMNOGRXIMLN-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.65
Rot. Bonds5

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

2-pyridin-2-ylethyl 2-(3-aminopyrazol-1-yl)acetate (PubChem CID 55035785) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-pyridin-2-ylethyl 2-(3-aminopyrazol-1-yl)acetate.

Molecular Properties

Compound Name2-pyridin-2-ylethyl 2-(3-aminopyrazol-1-yl)acetate
PubChem CID55035785
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-pyridin-2-ylethyl 2-(3-aminopyrazol-1-yl)acetate
SMILESNc1ccn(CC(=O)OCCc2ccccn2)n1
InChIInChI=1S/C12H14N4O2/c13-11-4-7-16(15-11)9-12(17)18-8-5-10-3-1-2-6-14-10/h1-4,6-7H,5,8-9H2,(H2,13,15)
InChIKeyWADFMNOGRXIMLN-UHFFFAOYSA-N
XLogP0.65
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylethyl 2-(3-aminopyrazol-1-yl)acetate?
The IUPAC name of 2-pyridin-2-ylethyl 2-(3-aminopyrazol-1-yl)acetate (CID 55035785) is 2-pyridin-2-ylethyl 2-(3-aminopyrazol-1-yl)acetate.
What is the SMILES notation for 2-pyridin-2-ylethyl 2-(3-aminopyrazol-1-yl)acetate?
The canonical SMILES for 2-pyridin-2-ylethyl 2-(3-aminopyrazol-1-yl)acetate is Nc1ccn(CC(=O)OCCc2ccccn2)n1.
What is the InChIKey of 2-pyridin-2-ylethyl 2-(3-aminopyrazol-1-yl)acetate?
The InChIKey is WADFMNOGRXIMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c13-11-4-7-16(15-11)9-12(17)18-8-5-10-3-1-2-6-14-10/h1-4,6-7H,5,8-9H2,(H2,13,15).
What are the key properties of 2-pyridin-2-ylethyl 2-(3-aminopyrazol-1-yl)acetate?
2-pyridin-2-ylethyl 2-(3-aminopyrazol-1-yl)acetate has a molecular weight of 246.27 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylethyl 2-(3-aminopyrazol-1-yl)acetate is sourced from PubChem (CID 55035785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).