(5-amino-1-ethylpyrazol-3-yl) acetate

C7H11N3O2 — CID 66769653

IUPAC(5-amino-1-ethylpyrazol-3-yl) acetate
SMILESCCn1nc(OC(C)=O)cc1N
InChIInChI=1S/C7H11N3O2/c1-3-10-6(8)4-7(9-10)12-5(2)11/h4H,3,8H2,1-2H3
InChIKeyDRDIUQGTAXDBLR-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.41
Rot. Bonds2

About (5-amino-1-ethylpyrazol-3-yl) acetate

(5-amino-1-ethylpyrazol-3-yl) acetate (PubChem CID 66769653) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is (5-amino-1-ethylpyrazol-3-yl) acetate.

Molecular Properties

Compound Name(5-amino-1-ethylpyrazol-3-yl) acetate
PubChem CID66769653
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name(5-amino-1-ethylpyrazol-3-yl) acetate
SMILESCCn1nc(OC(C)=O)cc1N
InChIInChI=1S/C7H11N3O2/c1-3-10-6(8)4-7(9-10)12-5(2)11/h4H,3,8H2,1-2H3
InChIKeyDRDIUQGTAXDBLR-UHFFFAOYSA-N
XLogP0.41
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-amino-1-ethylpyrazol-3-yl) acetate?
The IUPAC name of (5-amino-1-ethylpyrazol-3-yl) acetate (CID 66769653) is (5-amino-1-ethylpyrazol-3-yl) acetate.
What is the SMILES notation for (5-amino-1-ethylpyrazol-3-yl) acetate?
The canonical SMILES for (5-amino-1-ethylpyrazol-3-yl) acetate is CCn1nc(OC(C)=O)cc1N.
What is the InChIKey of (5-amino-1-ethylpyrazol-3-yl) acetate?
The InChIKey is DRDIUQGTAXDBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-3-10-6(8)4-7(9-10)12-5(2)11/h4H,3,8H2,1-2H3.
What are the key properties of (5-amino-1-ethylpyrazol-3-yl) acetate?
(5-amino-1-ethylpyrazol-3-yl) acetate has a molecular weight of 169.18 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1-ethylpyrazol-3-yl) acetate is sourced from PubChem (CID 66769653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).