1-(1,3,5-triethylpyrazol-4-yl)ethyl acetate

C13H22N2O2 — CID 174603254

IUPAC1-(1,3,5-triethylpyrazol-4-yl)ethyl acetate
SMILESCCc1nn(CC)c(CC)c1C(C)OC(C)=O
InChIInChI=1S/C13H22N2O2/c1-6-11-13(9(4)17-10(5)16)12(7-2)15(8-3)14-11/h9H,6-8H2,1-5H3
InChIKeyPORAKVBSEIUHNH-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.65
Rot. Bonds5

About 1-(1,3,5-triethylpyrazol-4-yl)ethyl acetate

1-(1,3,5-triethylpyrazol-4-yl)ethyl acetate (PubChem CID 174603254) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(1,3,5-triethylpyrazol-4-yl)ethyl acetate.

Molecular Properties

Compound Name1-(1,3,5-triethylpyrazol-4-yl)ethyl acetate
PubChem CID174603254
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-(1,3,5-triethylpyrazol-4-yl)ethyl acetate
SMILESCCc1nn(CC)c(CC)c1C(C)OC(C)=O
InChIInChI=1S/C13H22N2O2/c1-6-11-13(9(4)17-10(5)16)12(7-2)15(8-3)14-11/h9H,6-8H2,1-5H3
InChIKeyPORAKVBSEIUHNH-UHFFFAOYSA-N
XLogP2.65
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1,3,5-triethylpyrazol-4-yl)ethyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,3,5-triethylpyrazol-4-yl)ethyl acetate?
The IUPAC name of 1-(1,3,5-triethylpyrazol-4-yl)ethyl acetate (CID 174603254) is 1-(1,3,5-triethylpyrazol-4-yl)ethyl acetate.
What is the SMILES notation for 1-(1,3,5-triethylpyrazol-4-yl)ethyl acetate?
The canonical SMILES for 1-(1,3,5-triethylpyrazol-4-yl)ethyl acetate is CCc1nn(CC)c(CC)c1C(C)OC(C)=O.
What is the InChIKey of 1-(1,3,5-triethylpyrazol-4-yl)ethyl acetate?
The InChIKey is PORAKVBSEIUHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-6-11-13(9(4)17-10(5)16)12(7-2)15(8-3)14-11/h9H,6-8H2,1-5H3.
What are the key properties of 1-(1,3,5-triethylpyrazol-4-yl)ethyl acetate?
1-(1,3,5-triethylpyrazol-4-yl)ethyl acetate has a molecular weight of 238.33 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,5-triethylpyrazol-4-yl)ethyl acetate is sourced from PubChem (CID 174603254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).