2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,N-diethylacetamide

C11H18BrN3O — CID 39891676

IUPAC2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1nc(C)c(Br)c1C
InChIInChI=1S/C11H18BrN3O/c1-5-14(6-2)10(16)7-15-9(4)11(12)8(3)13-15/h5-7H2,1-4H3
InChIKeyQGHUBVMNWKGXPQ-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.13
Rot. Bonds4

About 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,N-diethylacetamide

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,N-diethylacetamide (PubChem CID 39891676) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,N-diethylacetamide
PubChem CID39891676
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1nc(C)c(Br)c1C
InChIInChI=1S/C11H18BrN3O/c1-5-14(6-2)10(16)7-15-9(4)11(12)8(3)13-15/h5-7H2,1-4H3
InChIKeyQGHUBVMNWKGXPQ-UHFFFAOYSA-N
XLogP2.13
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,N-diethylacetamide?
The IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,N-diethylacetamide (CID 39891676) is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,N-diethylacetamide.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,N-diethylacetamide?
The canonical SMILES for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,N-diethylacetamide is CCN(CC)C(=O)Cn1nc(C)c(Br)c1C.
What is the InChIKey of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,N-diethylacetamide?
The InChIKey is QGHUBVMNWKGXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-5-14(6-2)10(16)7-15-9(4)11(12)8(3)13-15/h5-7H2,1-4H3.
What are the key properties of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,N-diethylacetamide?
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,N-diethylacetamide has a molecular weight of 288.19 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,N-diethylacetamide is sourced from PubChem (CID 39891676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).