ethyl 2-(3-aminopyrazol-1-yl)acetate

C7H11N3O2 — CID 5200378

IUPACethyl 2-(3-aminopyrazol-1-yl)acetate
SMILESCCOC(=O)Cn1ccc(N)n1
InChIInChI=1S/C7H11N3O2/c1-2-12-7(11)5-10-4-3-6(8)9-10/h3-4H,2,5H2,1H3,(H2,8,9)
InChIKeyCPKKCNCVCRTEJX-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.03
Rot. Bonds3

About ethyl 2-(3-aminopyrazol-1-yl)acetate

ethyl 2-(3-aminopyrazol-1-yl)acetate (PubChem CID 5200378) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is ethyl 2-(3-aminopyrazol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-aminopyrazol-1-yl)acetate
PubChem CID5200378
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Nameethyl 2-(3-aminopyrazol-1-yl)acetate
SMILESCCOC(=O)Cn1ccc(N)n1
InChIInChI=1S/C7H11N3O2/c1-2-12-7(11)5-10-4-3-6(8)9-10/h3-4H,2,5H2,1H3,(H2,8,9)
InChIKeyCPKKCNCVCRTEJX-UHFFFAOYSA-N
XLogP0.03
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-aminopyrazol-1-yl)acetate?
The IUPAC name of ethyl 2-(3-aminopyrazol-1-yl)acetate (CID 5200378) is ethyl 2-(3-aminopyrazol-1-yl)acetate.
What is the SMILES notation for ethyl 2-(3-aminopyrazol-1-yl)acetate?
The canonical SMILES for ethyl 2-(3-aminopyrazol-1-yl)acetate is CCOC(=O)Cn1ccc(N)n1.
What is the InChIKey of ethyl 2-(3-aminopyrazol-1-yl)acetate?
The InChIKey is CPKKCNCVCRTEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-2-12-7(11)5-10-4-3-6(8)9-10/h3-4H,2,5H2,1H3,(H2,8,9).
What are the key properties of ethyl 2-(3-aminopyrazol-1-yl)acetate?
ethyl 2-(3-aminopyrazol-1-yl)acetate has a molecular weight of 169.18 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-aminopyrazol-1-yl)acetate is sourced from PubChem (CID 5200378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).