2-(3-bromo-1-methylpyrazol-5-yl)-2-methylpropanamide

C8H12BrN3O — CID 118690370

IUPAC2-(3-bromo-1-methylpyrazol-5-yl)-2-methylpropanamide
SMILESCn1nc(Br)cc1C(C)(C)C(N)=O
InChIInChI=1S/C8H12BrN3O/c1-8(2,7(10)13)5-4-6(9)11-12(5)3/h4H,1-3H3,(H2,10,13)
InChIKeyNERUZGZMVFGVQJ-UHFFFAOYSA-N
MW246.11 g/mol
LogP0.95
Rot. Bonds2

About 2-(3-bromo-1-methylpyrazol-5-yl)-2-methylpropanamide

2-(3-bromo-1-methylpyrazol-5-yl)-2-methylpropanamide (PubChem CID 118690370) has the molecular formula C8H12BrN3O and a molecular weight of 246.11 g/mol. Its IUPAC name is 2-(3-bromo-1-methylpyrazol-5-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(3-bromo-1-methylpyrazol-5-yl)-2-methylpropanamide
PubChem CID118690370
Molecular FormulaC8H12BrN3O
Molecular Weight246.11 g/mol
Exact Mass245.02
IUPAC Name2-(3-bromo-1-methylpyrazol-5-yl)-2-methylpropanamide
SMILESCn1nc(Br)cc1C(C)(C)C(N)=O
InChIInChI=1S/C8H12BrN3O/c1-8(2,7(10)13)5-4-6(9)11-12(5)3/h4H,1-3H3,(H2,10,13)
InChIKeyNERUZGZMVFGVQJ-UHFFFAOYSA-N
XLogP0.95
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.11
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-1-methylpyrazol-5-yl)-2-methylpropanamide?
The IUPAC name of 2-(3-bromo-1-methylpyrazol-5-yl)-2-methylpropanamide (CID 118690370) is 2-(3-bromo-1-methylpyrazol-5-yl)-2-methylpropanamide.
What is the SMILES notation for 2-(3-bromo-1-methylpyrazol-5-yl)-2-methylpropanamide?
The canonical SMILES for 2-(3-bromo-1-methylpyrazol-5-yl)-2-methylpropanamide is Cn1nc(Br)cc1C(C)(C)C(N)=O.
What is the InChIKey of 2-(3-bromo-1-methylpyrazol-5-yl)-2-methylpropanamide?
The InChIKey is NERUZGZMVFGVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O/c1-8(2,7(10)13)5-4-6(9)11-12(5)3/h4H,1-3H3,(H2,10,13).
What are the key properties of 2-(3-bromo-1-methylpyrazol-5-yl)-2-methylpropanamide?
2-(3-bromo-1-methylpyrazol-5-yl)-2-methylpropanamide has a molecular weight of 246.11 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-1-methylpyrazol-5-yl)-2-methylpropanamide is sourced from PubChem (CID 118690370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).