3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)propanamide

C12H21BrN4O — CID 62130627

IUPAC3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)propanamide
SMILESCCCNC(C)(Cn1nc(C)c(Br)c1C)C(N)=O
InChIInChI=1S/C12H21BrN4O/c1-5-6-15-12(4,11(14)18)7-17-9(3)10(13)8(2)16-17/h15H,5-7H2,1-4H3,(H2,14,18)
InChIKeyLYLDSWFRQCVMMV-UHFFFAOYSA-N
MW317.23 g/mol
LogP1.51
Rot. Bonds6

About 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)propanamide

3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)propanamide (PubChem CID 62130627) has the molecular formula C12H21BrN4O and a molecular weight of 317.23 g/mol. Its IUPAC name is 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)propanamide.

Molecular Properties

Compound Name3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)propanamide
PubChem CID62130627
Molecular FormulaC12H21BrN4O
Molecular Weight317.23 g/mol
Exact Mass316.09
IUPAC Name3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)propanamide
SMILESCCCNC(C)(Cn1nc(C)c(Br)c1C)C(N)=O
InChIInChI=1S/C12H21BrN4O/c1-5-6-15-12(4,11(14)18)7-17-9(3)10(13)8(2)16-17/h15H,5-7H2,1-4H3,(H2,14,18)
InChIKeyLYLDSWFRQCVMMV-UHFFFAOYSA-N
XLogP1.51
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)propanamide 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

ethyl 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpropanoate
CID 62130469
3-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propylamino)propanamide
CID 55064837
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpropanamide
CID 62128361
2-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropylpropanamide
CID 63920704
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propanamide
CID 63920900
ethyl 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(methylamino)butanoate
CID 62129434
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-(propylamino)butanoic acid
CID 63039957
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-butylacetamide
CID 19525673
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-butylpropanamide
CID 19561601
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64810023
2-methyl-2-(propylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-ol
CID 64809877
4-bromo-1-decyl-3,5-dimethylpyrazole
CID 63428341

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)propanamide?
The IUPAC name of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)propanamide (CID 62130627) is 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)propanamide.
What is the SMILES notation for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)propanamide?
The canonical SMILES for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)propanamide is CCCNC(C)(Cn1nc(C)c(Br)c1C)C(N)=O.
What is the InChIKey of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)propanamide?
The InChIKey is LYLDSWFRQCVMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN4O/c1-5-6-15-12(4,11(14)18)7-17-9(3)10(13)8(2)16-17/h15H,5-7H2,1-4H3,(H2,14,18).
What are the key properties of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)propanamide?
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)propanamide has a molecular weight of 317.23 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)propanamide is sourced from PubChem (CID 62130627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).