N-(3-amino-4-chlorophenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide

C14H16BrClN4O — CID 62128703

IUPACN-(3-amino-4-chlorophenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1nn(C(C)C(=O)Nc2ccc(Cl)c(N)c2)c(C)c1Br
InChIInChI=1S/C14H16BrClN4O/c1-7-13(15)8(2)20(19-7)9(3)14(21)18-10-4-5-11(16)12(17)6-10/h4-6,9H,17H2,1-3H3,(H,18,21)
InChIKeyUIMBNYQPSGNYKP-UHFFFAOYSA-N
MW371.67 g/mol
LogP3.70
Rot. Bonds3

About N-(3-amino-4-chlorophenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide

N-(3-amino-4-chlorophenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide (PubChem CID 62128703) has the molecular formula C14H16BrClN4O and a molecular weight of 371.67 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
PubChem CID62128703
Molecular FormulaC14H16BrClN4O
Molecular Weight371.67 g/mol
Exact Mass370.02
IUPAC NameN-(3-amino-4-chlorophenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1nn(C(C)C(=O)Nc2ccc(Cl)c(N)c2)c(C)c1Br
InChIInChI=1S/C14H16BrClN4O/c1-7-13(15)8(2)20(19-7)9(3)14(21)18-10-4-5-11(16)12(17)6-10/h4-6,9H,17H2,1-3H3,(H,18,21)
InChIKeyUIMBNYQPSGNYKP-UHFFFAOYSA-N
XLogP3.70
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.67
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(3-amino-4-chlorophenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)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

N-(4-aminophenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
CID 62130906
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 19538080
N-(3-amino-4-chlorophenyl)-2-(2-methylpiperidin-1-yl)propanamide
CID 16779003
(2R)-N-(3-chloro-4-fluorophenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide
CID 1256201
N-(3-amino-4-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide
CID 62409917
N-(3-amino-4-chlorophenyl)-2-[ethyl(methyl)amino]propanamide
CID 43262968
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
CID 19337356
(2R)-N-(4-acetamidophenyl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)propanamide
CID 1257990
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
CID 19284413
N-(3-amino-4-chlorophenyl)-2-(dimethylamino)-3-methylbutanamide
CID 82224820
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-chloro-4-fluorophenyl)-2-methylpropanamide
CID 4865030
N-(3-amino-4-chlorophenyl)-2-(2-cyanopyrrol-1-yl)propanamide
CID 114650376

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide (CID 62128703) is N-(3-amino-4-chlorophenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide is Cc1nn(C(C)C(=O)Nc2ccc(Cl)c(N)c2)c(C)c1Br.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide?
The InChIKey is UIMBNYQPSGNYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN4O/c1-7-13(15)8(2)20(19-7)9(3)14(21)18-10-4-5-11(16)12(17)6-10/h4-6,9H,17H2,1-3H3,(H,18,21).
What are the key properties of N-(3-amino-4-chlorophenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide?
N-(3-amino-4-chlorophenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide has a molecular weight of 371.67 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 62128703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).