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

C10H16BrN3O — CID 61236706

IUPAC2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)Cn1nc(C)c(Br)c1C
InChIInChI=1S/C10H16BrN3O/c1-5-13(4)9(15)6-14-8(3)10(11)7(2)12-14/h5-6H2,1-4H3
InChIKeyDVCPPAAYVGHDQJ-UHFFFAOYSA-N
MW274.16 g/mol
LogP1.74
Rot. Bonds3

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

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-methylacetamide (PubChem CID 61236706) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-methylacetamide
PubChem CID61236706
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)Cn1nc(C)c(Br)c1C
InChIInChI=1S/C10H16BrN3O/c1-5-13(4)9(15)6-14-8(3)10(11)7(2)12-14/h5-6H2,1-4H3
InChIKeyDVCPPAAYVGHDQJ-UHFFFAOYSA-N
XLogP1.74
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 51.74
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-ethyl-N-methylacetamide?
The IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-methylacetamide (CID 61236706) is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-methylacetamide is CCN(C)C(=O)Cn1nc(C)c(Br)c1C.
What is the InChIKey of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-methylacetamide?
The InChIKey is DVCPPAAYVGHDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-5-13(4)9(15)6-14-8(3)10(11)7(2)12-14/h5-6H2,1-4H3.
What are the key properties of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-methylacetamide?
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-methylacetamide has a molecular weight of 274.16 g/mol, XLogP of 1.74, 3 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-ethyl-N-methylacetamide is sourced from PubChem (CID 61236706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).