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

C7H10BrN3O — CID 130496766

IUPAC2-bromo-N-(1,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CBr)nn1C
InChIInChI=1S/C7H10BrN3O/c1-5-3-6(10-11(5)2)9-7(12)4-8/h3H,4H2,1-2H3,(H,9,10,12)
InChIKeyODLRDFHOBMYRAS-UHFFFAOYSA-N
MW232.08 g/mol
LogP1.06
Rot. Bonds2

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

2-bromo-N-(1,5-dimethylpyrazol-3-yl)acetamide (PubChem CID 130496766) has the molecular formula C7H10BrN3O and a molecular weight of 232.08 g/mol. Its IUPAC name is 2-bromo-N-(1,5-dimethylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(1,5-dimethylpyrazol-3-yl)acetamide
PubChem CID130496766
Molecular FormulaC7H10BrN3O
Molecular Weight232.08 g/mol
Exact Mass231.00
IUPAC Name2-bromo-N-(1,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CBr)nn1C
InChIInChI=1S/C7H10BrN3O/c1-5-3-6(10-11(5)2)9-7(12)4-8/h3H,4H2,1-2H3,(H,9,10,12)
InChIKeyODLRDFHOBMYRAS-UHFFFAOYSA-N
XLogP1.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1,5-dimethylpyrazol-3-yl)-3-methoxypropanamide
CID 35761217
2-bromo-N-(1,5-dimethylpyrazol-3-yl)butanamide
CID 130496769
N-(1,5-dimethylpyrazol-3-yl)cyclopentanecarboxamide
CID 35761222
1-tert-butyl-3-(1,5-dimethylpyrazol-3-yl)urea
CID 108813276
N-(1,5-dimethylpyrazol-3-yl)-3-phenylpropanamide
CID 35761194
3-amino-N-(1,5-dimethylpyrazol-3-yl)-4,4-dimethylpentanamide
CID 114253602
(2S)-N-(1,5-dimethylpyrazol-3-yl)-2-(methylamino)propanamide
CID 126982193
3-amino-N-(1,5-dimethylpyrazol-3-yl)propanamide;4-[(1,5-dimethylpyrazol-3-yl)amino]-4-oxobutanoic acid;hydrochloride
CID 161136989
N-(1,5-dimethylpyrazol-3-yl)-4-(propan-2-ylamino)butanamide
CID 114253600
4-bromo-N-(1,5-dimethylpyrazol-3-yl)benzamide
CID 35761193
2-bromo-N-(1,5-dimethylpyrazol-3-yl)benzamide
CID 39854030
1-(1,5-dimethylpyrazol-3-yl)-2-methylguanidine
CID 130496867

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1,5-dimethylpyrazol-3-yl)acetamide?
The IUPAC name of 2-bromo-N-(1,5-dimethylpyrazol-3-yl)acetamide (CID 130496766) is 2-bromo-N-(1,5-dimethylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-bromo-N-(1,5-dimethylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-bromo-N-(1,5-dimethylpyrazol-3-yl)acetamide is Cc1cc(NC(=O)CBr)nn1C.
What is the InChIKey of 2-bromo-N-(1,5-dimethylpyrazol-3-yl)acetamide?
The InChIKey is ODLRDFHOBMYRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3O/c1-5-3-6(10-11(5)2)9-7(12)4-8/h3H,4H2,1-2H3,(H,9,10,12).
What are the key properties of 2-bromo-N-(1,5-dimethylpyrazol-3-yl)acetamide?
2-bromo-N-(1,5-dimethylpyrazol-3-yl)acetamide has a molecular weight of 232.08 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1,5-dimethylpyrazol-3-yl)acetamide is sourced from PubChem (CID 130496766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).