2-(4-bromopyrazol-1-yl)-N-butyl-N-ethylacetamide

C11H18BrN3O — CID 78893614

IUPAC2-(4-bromopyrazol-1-yl)-N-butyl-N-ethylacetamide
SMILESCCCCN(CC)C(=O)Cn1cc(Br)cn1
InChIInChI=1S/C11H18BrN3O/c1-3-5-6-14(4-2)11(16)9-15-8-10(12)7-13-15/h7-8H,3-6,9H2,1-2H3
InChIKeyBVAAPJTVWFNGOM-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.29
Rot. Bonds6

About 2-(4-bromopyrazol-1-yl)-N-butyl-N-ethylacetamide

2-(4-bromopyrazol-1-yl)-N-butyl-N-ethylacetamide (PubChem CID 78893614) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-butyl-N-ethylacetamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-butyl-N-ethylacetamide
PubChem CID78893614
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name2-(4-bromopyrazol-1-yl)-N-butyl-N-ethylacetamide
SMILESCCCCN(CC)C(=O)Cn1cc(Br)cn1
InChIInChI=1S/C11H18BrN3O/c1-3-5-6-14(4-2)11(16)9-15-8-10(12)7-13-15/h7-8H,3-6,9H2,1-2H3
InChIKeyBVAAPJTVWFNGOM-UHFFFAOYSA-N
XLogP2.29
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromopyrazol-1-yl)-N-butyl-N-ethylacetamide 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 2-(4-bromopyrazol-1-yl)-N-butyl-N-ethylacetamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-butyl-N-ethylacetamide (CID 78893614) is 2-(4-bromopyrazol-1-yl)-N-butyl-N-ethylacetamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-butyl-N-ethylacetamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-butyl-N-ethylacetamide is CCCCN(CC)C(=O)Cn1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-butyl-N-ethylacetamide?
The InChIKey is BVAAPJTVWFNGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-3-5-6-14(4-2)11(16)9-15-8-10(12)7-13-15/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-butyl-N-ethylacetamide?
2-(4-bromopyrazol-1-yl)-N-butyl-N-ethylacetamide has a molecular weight of 288.19 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-butyl-N-ethylacetamide is sourced from PubChem (CID 78893614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).