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

C7H10BrN3O — CID 178084428

IUPACN-(5-bromo-1,4-dimethylpyrazol-3-yl)acetamide
SMILESCC(=O)Nc1nn(C)c(Br)c1C
InChIInChI=1S/C7H10BrN3O/c1-4-6(8)11(3)10-7(4)9-5(2)12/h1-3H3,(H,9,10,12)
InChIKeyNFMGHAXJQYCQLW-UHFFFAOYSA-N
MW232.08 g/mol
LogP1.45
Rot. Bonds1

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

N-(5-bromo-1,4-dimethylpyrazol-3-yl)acetamide (PubChem CID 178084428) has the molecular formula C7H10BrN3O and a molecular weight of 232.08 g/mol. Its IUPAC name is N-(5-bromo-1,4-dimethylpyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-1,4-dimethylpyrazol-3-yl)acetamide
PubChem CID178084428
Molecular FormulaC7H10BrN3O
Molecular Weight232.08 g/mol
Exact Mass231.00
IUPAC NameN-(5-bromo-1,4-dimethylpyrazol-3-yl)acetamide
SMILESCC(=O)Nc1nn(C)c(Br)c1C
InChIInChI=1S/C7H10BrN3O/c1-4-6(8)11(3)10-7(4)9-5(2)12/h1-3H3,(H,9,10,12)
InChIKeyNFMGHAXJQYCQLW-UHFFFAOYSA-N
XLogP1.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,4-dimethylpyrazol-3-yl)acetamide?
The IUPAC name of N-(5-bromo-1,4-dimethylpyrazol-3-yl)acetamide (CID 178084428) is N-(5-bromo-1,4-dimethylpyrazol-3-yl)acetamide.
What is the SMILES notation for N-(5-bromo-1,4-dimethylpyrazol-3-yl)acetamide?
The canonical SMILES for N-(5-bromo-1,4-dimethylpyrazol-3-yl)acetamide is CC(=O)Nc1nn(C)c(Br)c1C.
What is the InChIKey of N-(5-bromo-1,4-dimethylpyrazol-3-yl)acetamide?
The InChIKey is NFMGHAXJQYCQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3O/c1-4-6(8)11(3)10-7(4)9-5(2)12/h1-3H3,(H,9,10,12).
What are the key properties of N-(5-bromo-1,4-dimethylpyrazol-3-yl)acetamide?
N-(5-bromo-1,4-dimethylpyrazol-3-yl)acetamide has a molecular weight of 232.08 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,4-dimethylpyrazol-3-yl)acetamide is sourced from PubChem (CID 178084428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).