2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide

C15H23BrN4O — CID 19525637

IUPAC2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide
SMILESCc1nn(CC(=O)NC2CC3CCC(C2)N3C)c(C)c1Br
InChIInChI=1S/C15H23BrN4O/c1-9-15(16)10(2)20(18-9)8-14(21)17-11-6-12-4-5-13(7-11)19(12)3/h11-13H,4-8H2,1-3H3,(H,17,21)
InChIKeyWPCGOBIEXQSYFV-UHFFFAOYSA-N
MW355.28 g/mol
LogP2.00
Rot. Bonds3

About 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide (PubChem CID 19525637) has the molecular formula C15H23BrN4O and a molecular weight of 355.28 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide
PubChem CID19525637
Molecular FormulaC15H23BrN4O
Molecular Weight355.28 g/mol
Exact Mass354.11
IUPAC Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide
SMILESCc1nn(CC(=O)NC2CC3CCC(C2)N3C)c(C)c1Br
InChIInChI=1S/C15H23BrN4O/c1-9-15(16)10(2)20(18-9)8-14(21)17-11-6-12-4-5-13(7-11)19(12)3/h11-13H,4-8H2,1-3H3,(H,17,21)
InChIKeyWPCGOBIEXQSYFV-UHFFFAOYSA-N
XLogP2.00
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide 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-bromo-3,5-dimethylpyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide?
The IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide (CID 19525637) is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide?
The canonical SMILES for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide is Cc1nn(CC(=O)NC2CC3CCC(C2)N3C)c(C)c1Br.
What is the InChIKey of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide?
The InChIKey is WPCGOBIEXQSYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN4O/c1-9-15(16)10(2)20(18-9)8-14(21)17-11-6-12-4-5-13(7-11)19(12)3/h11-13H,4-8H2,1-3H3,(H,17,21).
What are the key properties of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide?
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide has a molecular weight of 355.28 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide is sourced from PubChem (CID 19525637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).