ethyl 2-(3-aminopyrazol-1-yl)-2-pyridin-3-ylacetate

C12H14N4O2 — CID 90037581

IUPACethyl 2-(3-aminopyrazol-1-yl)-2-pyridin-3-ylacetate
SMILESCCOC(=O)C(c1cccnc1)n1ccc(N)n1
InChIInChI=1S/C12H14N4O2/c1-2-18-12(17)11(9-4-3-6-14-8-9)16-7-5-10(13)15-16/h3-8,11H,2H2,1H3,(H2,13,15)
InChIKeyBDVZLWMNBLTPFE-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.01
Rot. Bonds4

About ethyl 2-(3-aminopyrazol-1-yl)-2-pyridin-3-ylacetate

ethyl 2-(3-aminopyrazol-1-yl)-2-pyridin-3-ylacetate (PubChem CID 90037581) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is ethyl 2-(3-aminopyrazol-1-yl)-2-pyridin-3-ylacetate.

Molecular Properties

Compound Nameethyl 2-(3-aminopyrazol-1-yl)-2-pyridin-3-ylacetate
PubChem CID90037581
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Nameethyl 2-(3-aminopyrazol-1-yl)-2-pyridin-3-ylacetate
SMILESCCOC(=O)C(c1cccnc1)n1ccc(N)n1
InChIInChI=1S/C12H14N4O2/c1-2-18-12(17)11(9-4-3-6-14-8-9)16-7-5-10(13)15-16/h3-8,11H,2H2,1H3,(H2,13,15)
InChIKeyBDVZLWMNBLTPFE-UHFFFAOYSA-N
XLogP1.01
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-aminopyrazol-1-yl)-2-pyridin-3-ylacetate?
The IUPAC name of ethyl 2-(3-aminopyrazol-1-yl)-2-pyridin-3-ylacetate (CID 90037581) is ethyl 2-(3-aminopyrazol-1-yl)-2-pyridin-3-ylacetate.
What is the SMILES notation for ethyl 2-(3-aminopyrazol-1-yl)-2-pyridin-3-ylacetate?
The canonical SMILES for ethyl 2-(3-aminopyrazol-1-yl)-2-pyridin-3-ylacetate is CCOC(=O)C(c1cccnc1)n1ccc(N)n1.
What is the InChIKey of ethyl 2-(3-aminopyrazol-1-yl)-2-pyridin-3-ylacetate?
The InChIKey is BDVZLWMNBLTPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-2-18-12(17)11(9-4-3-6-14-8-9)16-7-5-10(13)15-16/h3-8,11H,2H2,1H3,(H2,13,15).
What are the key properties of ethyl 2-(3-aminopyrazol-1-yl)-2-pyridin-3-ylacetate?
ethyl 2-(3-aminopyrazol-1-yl)-2-pyridin-3-ylacetate has a molecular weight of 246.27 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-aminopyrazol-1-yl)-2-pyridin-3-ylacetate is sourced from PubChem (CID 90037581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).