(2S)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2-dimethylpropanamide

C10H16BrN3O — CID 39854755

IUPAC(2S)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2-dimethylpropanamide
SMILESCNC(=O)[C@@H](C)Cn1nc(C)c(Br)c1C
InChIInChI=1S/C10H16BrN3O/c1-6(10(15)12-4)5-14-8(3)9(11)7(2)13-14/h6H,5H2,1-4H3,(H,12,15)/t6-/m0/s1
InChIKeyDXPRUGVKCSTNDL-LURJTMIESA-N
MW274.16 g/mol
LogP1.64
Rot. Bonds3

About (2S)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2-dimethylpropanamide

(2S)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2-dimethylpropanamide (PubChem CID 39854755) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is (2S)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2-dimethylpropanamide.

Molecular Properties

Compound Name(2S)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2-dimethylpropanamide
PubChem CID39854755
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name(2S)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2-dimethylpropanamide
SMILESCNC(=O)[C@@H](C)Cn1nc(C)c(Br)c1C
InChIInChI=1S/C10H16BrN3O/c1-6(10(15)12-4)5-14-8(3)9(11)7(2)13-14/h6H,5H2,1-4H3,(H,12,15)/t6-/m0/s1
InChIKeyDXPRUGVKCSTNDL-LURJTMIESA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2-dimethylpropanamide 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

3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-2-methylpropanamide
CID 19564273
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(diethylamino)phenyl]-2-methylpropanamide
CID 19564213
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-(propan-2-ylamino)propanoic acid
CID 55038757
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-chloro-4-fluorophenyl)-2-methylpropanamide
CID 4865030
(2R)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 39891789
2-acetamido-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoic acid
CID 64581304
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-methylphenyl)-2-methylpropanamide
CID 19564210
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-fluoro-2-methylphenyl)-2-methylpropanamide
CID 4865310
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-butan-2-ylphenyl)propyl]-2-methylpropanamide
CID 19564301
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide
CID 19564218
(2S)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-imidazol-1-ylpropyl)-2-methylpropanamide
CID 39734496
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-3-nitrophenyl)-2-methylpropanamide
CID 4867259

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2-dimethylpropanamide?
The IUPAC name of (2S)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2-dimethylpropanamide (CID 39854755) is (2S)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2-dimethylpropanamide.
What is the SMILES notation for (2S)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2-dimethylpropanamide?
The canonical SMILES for (2S)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2-dimethylpropanamide is CNC(=O)[C@@H](C)Cn1nc(C)c(Br)c1C.
What is the InChIKey of (2S)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2-dimethylpropanamide?
The InChIKey is DXPRUGVKCSTNDL-LURJTMIESA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-6(10(15)12-4)5-14-8(3)9(11)7(2)13-14/h6H,5H2,1-4H3,(H,12,15)/t6-/m0/s1.
What are the key properties of (2S)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2-dimethylpropanamide?
(2S)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2-dimethylpropanamide has a molecular weight of 274.16 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2-dimethylpropanamide is sourced from PubChem (CID 39854755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).