2-(5-acetamidopyrazol-1-yl)ethyl acetate

C9H13N3O3 — CID 22916765

IUPAC2-(5-acetamidopyrazol-1-yl)ethyl acetate
SMILESCC(=O)Nc1ccnn1CCOC(C)=O
InChIInChI=1S/C9H13N3O3/c1-7(13)11-9-3-4-10-12(9)5-6-15-8(2)14/h3-4H,5-6H2,1-2H3,(H,11,13)
InChIKeyQNIIZRKAMFLPAZ-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.40
Rot. Bonds4

About 2-(5-acetamidopyrazol-1-yl)ethyl acetate

2-(5-acetamidopyrazol-1-yl)ethyl acetate (PubChem CID 22916765) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-(5-acetamidopyrazol-1-yl)ethyl acetate.

Molecular Properties

Compound Name2-(5-acetamidopyrazol-1-yl)ethyl acetate
PubChem CID22916765
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-(5-acetamidopyrazol-1-yl)ethyl acetate
SMILESCC(=O)Nc1ccnn1CCOC(C)=O
InChIInChI=1S/C9H13N3O3/c1-7(13)11-9-3-4-10-12(9)5-6-15-8(2)14/h3-4H,5-6H2,1-2H3,(H,11,13)
InChIKeyQNIIZRKAMFLPAZ-UHFFFAOYSA-N
XLogP0.40
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-acetamidopyrazol-1-yl)ethyl acetate?
The IUPAC name of 2-(5-acetamidopyrazol-1-yl)ethyl acetate (CID 22916765) is 2-(5-acetamidopyrazol-1-yl)ethyl acetate.
What is the SMILES notation for 2-(5-acetamidopyrazol-1-yl)ethyl acetate?
The canonical SMILES for 2-(5-acetamidopyrazol-1-yl)ethyl acetate is CC(=O)Nc1ccnn1CCOC(C)=O.
What is the InChIKey of 2-(5-acetamidopyrazol-1-yl)ethyl acetate?
The InChIKey is QNIIZRKAMFLPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-7(13)11-9-3-4-10-12(9)5-6-15-8(2)14/h3-4H,5-6H2,1-2H3,(H,11,13).
What are the key properties of 2-(5-acetamidopyrazol-1-yl)ethyl acetate?
2-(5-acetamidopyrazol-1-yl)ethyl acetate has a molecular weight of 211.22 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetamidopyrazol-1-yl)ethyl acetate is sourced from PubChem (CID 22916765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).