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

C13H21BrN4O — CID 19525573

IUPAC2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(1-methylpiperidin-4-yl)acetamide
SMILESCc1nn(CC(=O)NC2CCN(C)CC2)c(C)c1Br
InChIInChI=1S/C13H21BrN4O/c1-9-13(14)10(2)18(16-9)8-12(19)15-11-4-6-17(3)7-5-11/h11H,4-8H2,1-3H3,(H,15,19)
InChIKeyNDPUICCKRPNNMP-UHFFFAOYSA-N
MW329.24 g/mol
LogP1.47
Rot. Bonds3

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

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(1-methylpiperidin-4-yl)acetamide (PubChem CID 19525573) has the molecular formula C13H21BrN4O and a molecular weight of 329.24 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(1-methylpiperidin-4-yl)acetamide
PubChem CID19525573
Molecular FormulaC13H21BrN4O
Molecular Weight329.24 g/mol
Exact Mass328.09
IUPAC Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(1-methylpiperidin-4-yl)acetamide
SMILESCc1nn(CC(=O)NC2CCN(C)CC2)c(C)c1Br
InChIInChI=1S/C13H21BrN4O/c1-9-13(14)10(2)18(16-9)8-12(19)15-11-4-6-17(3)7-5-11/h11H,4-8H2,1-3H3,(H,15,19)
InChIKeyNDPUICCKRPNNMP-UHFFFAOYSA-N
XLogP1.47
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(1-methylpiperidin-4-yl)acetamide (CID 19525573) is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(1-methylpiperidin-4-yl)acetamide is Cc1nn(CC(=O)NC2CCN(C)CC2)c(C)c1Br.
What is the InChIKey of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is NDPUICCKRPNNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4O/c1-9-13(14)10(2)18(16-9)8-12(19)15-11-4-6-17(3)7-5-11/h11H,4-8H2,1-3H3,(H,15,19).
What are the key properties of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(1-methylpiperidin-4-yl)acetamide?
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 329.24 g/mol, XLogP of 1.47, 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-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 19525573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).