2-bromo-N-(5-chloro-1-methylpyrazol-4-yl)-2-methylpropanamide

C8H11BrClN3O — CID 164658758

IUPAC2-bromo-N-(5-chloro-1-methylpyrazol-4-yl)-2-methylpropanamide
SMILESCn1ncc(NC(=O)C(C)(C)Br)c1Cl
InChIInChI=1S/C8H11BrClN3O/c1-8(2,9)7(14)12-5-4-11-13(3)6(5)10/h4H,1-3H3,(H,12,14)
InChIKeyYALKSVNPABKEOO-UHFFFAOYSA-N
MW280.55 g/mol
LogP2.19
Rot. Bonds2

About 2-bromo-N-(5-chloro-1-methylpyrazol-4-yl)-2-methylpropanamide

2-bromo-N-(5-chloro-1-methylpyrazol-4-yl)-2-methylpropanamide (PubChem CID 164658758) has the molecular formula C8H11BrClN3O and a molecular weight of 280.55 g/mol. Its IUPAC name is 2-bromo-N-(5-chloro-1-methylpyrazol-4-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-(5-chloro-1-methylpyrazol-4-yl)-2-methylpropanamide
PubChem CID164658758
Molecular FormulaC8H11BrClN3O
Molecular Weight280.55 g/mol
Exact Mass278.98
IUPAC Name2-bromo-N-(5-chloro-1-methylpyrazol-4-yl)-2-methylpropanamide
SMILESCn1ncc(NC(=O)C(C)(C)Br)c1Cl
InChIInChI=1S/C8H11BrClN3O/c1-8(2,9)7(14)12-5-4-11-13(3)6(5)10/h4H,1-3H3,(H,12,14)
InChIKeyYALKSVNPABKEOO-UHFFFAOYSA-N
XLogP2.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.55
LogP ≤ 52.19
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

2-[(5-chloro-1-methylpyrazol-4-yl)amino]-N-methylacetamide
CID 164649869
methyl 4-[[2-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-1-methylpyrazole-5-carboxylate
CID 19342289
N-(5-chloro-1-methylpyrazol-4-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 126833324
2-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-methylpropanamide
CID 107788653
tert-butyl N-(5-bromo-1-methylpyrazol-4-yl)carbamate
CID 146155648
1-methyl-4-[(2,2,2-trifluoroacetyl)amino]pyrazole-5-carboxamide
CID 19412294
2-bromo-N-(3-bromo-4-pyridinyl)-2-methylpropanamide
CID 114328998
2-bromo-N-(2-chloro-3-fluorophenyl)-2-methylpropanamide
CID 164656809
N-(1,5-dimethylpyrazol-4-yl)acetamide
CID 19399796
2-bromo-2-methyl-N-pyrimidin-5-ylpropanamide
CID 107588375
tert-butyl N-(1,5-dimethylpyrazol-4-yl)carbamate
CID 67304447
N-(4-acetamidophenyl)-5-chloro-1-methylpyrazole-4-carboxamide
CID 75538051

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-chloro-1-methylpyrazol-4-yl)-2-methylpropanamide?
The IUPAC name of 2-bromo-N-(5-chloro-1-methylpyrazol-4-yl)-2-methylpropanamide (CID 164658758) is 2-bromo-N-(5-chloro-1-methylpyrazol-4-yl)-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N-(5-chloro-1-methylpyrazol-4-yl)-2-methylpropanamide?
The canonical SMILES for 2-bromo-N-(5-chloro-1-methylpyrazol-4-yl)-2-methylpropanamide is Cn1ncc(NC(=O)C(C)(C)Br)c1Cl.
What is the InChIKey of 2-bromo-N-(5-chloro-1-methylpyrazol-4-yl)-2-methylpropanamide?
The InChIKey is YALKSVNPABKEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrClN3O/c1-8(2,9)7(14)12-5-4-11-13(3)6(5)10/h4H,1-3H3,(H,12,14).
What are the key properties of 2-bromo-N-(5-chloro-1-methylpyrazol-4-yl)-2-methylpropanamide?
2-bromo-N-(5-chloro-1-methylpyrazol-4-yl)-2-methylpropanamide has a molecular weight of 280.55 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-chloro-1-methylpyrazol-4-yl)-2-methylpropanamide is sourced from PubChem (CID 164658758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).