2-(4-bromo-5-methylpyrazol-1-yl)-N-(4-methylpiperazin-1-yl)acetamide

C11H18BrN5O — CID 4770831

IUPAC2-(4-bromo-5-methylpyrazol-1-yl)-N-(4-methylpiperazin-1-yl)acetamide
SMILESCc1c(Br)cnn1CC(=O)NN1CCN(C)CC1
InChIInChI=1S/C11H18BrN5O/c1-9-10(12)7-13-17(9)8-11(18)14-16-5-3-15(2)4-6-16/h7H,3-6,8H2,1-2H3,(H,14,18)
InChIKeyYARIKUZRBBQFPL-UHFFFAOYSA-N
MW316.20 g/mol
LogP0.23
Rot. Bonds3

About 2-(4-bromo-5-methylpyrazol-1-yl)-N-(4-methylpiperazin-1-yl)acetamide

2-(4-bromo-5-methylpyrazol-1-yl)-N-(4-methylpiperazin-1-yl)acetamide (PubChem CID 4770831) has the molecular formula C11H18BrN5O and a molecular weight of 316.20 g/mol. Its IUPAC name is 2-(4-bromo-5-methylpyrazol-1-yl)-N-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-5-methylpyrazol-1-yl)-N-(4-methylpiperazin-1-yl)acetamide
PubChem CID4770831
Molecular FormulaC11H18BrN5O
Molecular Weight316.20 g/mol
Exact Mass315.07
IUPAC Name2-(4-bromo-5-methylpyrazol-1-yl)-N-(4-methylpiperazin-1-yl)acetamide
SMILESCc1c(Br)cnn1CC(=O)NN1CCN(C)CC1
InChIInChI=1S/C11H18BrN5O/c1-9-10(12)7-13-17(9)8-11(18)14-16-5-3-15(2)4-6-16/h7H,3-6,8H2,1-2H3,(H,14,18)
InChIKeyYARIKUZRBBQFPL-UHFFFAOYSA-N
XLogP0.23
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methylpyrazol-1-yl)-N-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of 2-(4-bromo-5-methylpyrazol-1-yl)-N-(4-methylpiperazin-1-yl)acetamide (CID 4770831) is 2-(4-bromo-5-methylpyrazol-1-yl)-N-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for 2-(4-bromo-5-methylpyrazol-1-yl)-N-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for 2-(4-bromo-5-methylpyrazol-1-yl)-N-(4-methylpiperazin-1-yl)acetamide is Cc1c(Br)cnn1CC(=O)NN1CCN(C)CC1.
What is the InChIKey of 2-(4-bromo-5-methylpyrazol-1-yl)-N-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is YARIKUZRBBQFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN5O/c1-9-10(12)7-13-17(9)8-11(18)14-16-5-3-15(2)4-6-16/h7H,3-6,8H2,1-2H3,(H,14,18).
What are the key properties of 2-(4-bromo-5-methylpyrazol-1-yl)-N-(4-methylpiperazin-1-yl)acetamide?
2-(4-bromo-5-methylpyrazol-1-yl)-N-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 316.20 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methylpyrazol-1-yl)-N-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 4770831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).