2-(4-bromo-3-methylpyrazol-1-yl)-N-propan-2-ylpropanamide

C10H16BrN3O — CID 17020886

IUPAC2-(4-bromo-3-methylpyrazol-1-yl)-N-propan-2-ylpropanamide
SMILESCc1nn(C(C)C(=O)NC(C)C)cc1Br
InChIInChI=1S/C10H16BrN3O/c1-6(2)12-10(15)8(4)14-5-9(11)7(3)13-14/h5-6,8H,1-4H3,(H,12,15)
InChIKeyHWTOWHBWFKAZOX-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.04
Rot. Bonds3

About 2-(4-bromo-3-methylpyrazol-1-yl)-N-propan-2-ylpropanamide

2-(4-bromo-3-methylpyrazol-1-yl)-N-propan-2-ylpropanamide (PubChem CID 17020886) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is 2-(4-bromo-3-methylpyrazol-1-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylpyrazol-1-yl)-N-propan-2-ylpropanamide
PubChem CID17020886
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name2-(4-bromo-3-methylpyrazol-1-yl)-N-propan-2-ylpropanamide
SMILESCc1nn(C(C)C(=O)NC(C)C)cc1Br
InChIInChI=1S/C10H16BrN3O/c1-6(2)12-10(15)8(4)14-5-9(11)7(3)13-14/h5-6,8H,1-4H3,(H,12,15)
InChIKeyHWTOWHBWFKAZOX-UHFFFAOYSA-N
XLogP2.04
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromo-3-methylpyrazol-1-yl)-N-propan-2-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-phenylethyl)propanamide
CID 19533359
2-(4-bromo-3-methylpyrazol-1-yl)-N-cyclopropylpropanamide
CID 19533335
2-(4-bromo-3-methylpyrazol-1-yl)-N-cyclooctylpropanamide
CID 45125859
2-(4-bromo-3-nitropyrazol-1-yl)-N-propan-2-ylpropanamide
CID 61192856
2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]propanamide
CID 17020935
2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]propanamide
CID 19533467
2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]propanamide
CID 19533530
2-(4-bromo-3-methylpyrazol-1-yl)-N-morpholin-4-ylpropanamide
CID 19575310
2-(4-bromo-3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 19533299
2-(4-bromo-3-methylpyrazol-1-yl)-N-(2,3-dimethylphenyl)propanamide
CID 19533298
(2S)-2-(4-bromopyrazol-1-yl)-N-propan-2-ylpropanamide
CID 35522913
2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]propanamide
CID 19322853

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylpyrazol-1-yl)-N-propan-2-ylpropanamide?
The IUPAC name of 2-(4-bromo-3-methylpyrazol-1-yl)-N-propan-2-ylpropanamide (CID 17020886) is 2-(4-bromo-3-methylpyrazol-1-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(4-bromo-3-methylpyrazol-1-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(4-bromo-3-methylpyrazol-1-yl)-N-propan-2-ylpropanamide is Cc1nn(C(C)C(=O)NC(C)C)cc1Br.
What is the InChIKey of 2-(4-bromo-3-methylpyrazol-1-yl)-N-propan-2-ylpropanamide?
The InChIKey is HWTOWHBWFKAZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-6(2)12-10(15)8(4)14-5-9(11)7(3)13-14/h5-6,8H,1-4H3,(H,12,15).
What are the key properties of 2-(4-bromo-3-methylpyrazol-1-yl)-N-propan-2-ylpropanamide?
2-(4-bromo-3-methylpyrazol-1-yl)-N-propan-2-ylpropanamide has a molecular weight of 274.16 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylpyrazol-1-yl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 17020886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).