N-(5-amino-2-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide

C15H20N4OS — CID 62408592

IUPACN-(5-amino-2-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide
SMILESCc1cc(SC(C)C(=O)Nc2cc(N)ccc2C)n(C)n1
InChIInChI=1S/C15H20N4OS/c1-9-5-6-12(16)8-13(9)17-15(20)11(3)21-14-7-10(2)18-19(14)4/h5-8,11H,16H2,1-4H3,(H,17,20)
InChIKeyIZCMFJISFUFTTF-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.74
Rot. Bonds4

About N-(5-amino-2-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide

N-(5-amino-2-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide (PubChem CID 62408592) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide
PubChem CID62408592
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN-(5-amino-2-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide
SMILESCc1cc(SC(C)C(=O)Nc2cc(N)ccc2C)n(C)n1
InChIInChI=1S/C15H20N4OS/c1-9-5-6-12(16)8-13(9)17-15(20)11(3)21-14-7-10(2)18-19(14)4/h5-8,11H,16H2,1-4H3,(H,17,20)
InChIKeyIZCMFJISFUFTTF-UHFFFAOYSA-N
XLogP2.74
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(5-amino-2-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide 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-(2-amino-4-fluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide
CID 62410476
N-(5-amino-2-methylphenyl)-2-phenylsulfanylpropanamide
CID 43187416
N-(5-amino-2-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide
CID 43187425
N-(3-amino-4-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide
CID 62409917
N-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfanylpropanamide
CID 43109464
N-(5-amino-2-methylphenyl)-2-methylsulfonylpropanamide
CID 61024834
N-(5-amino-2-fluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide
CID 62409558
N-(5-amino-2-methylphenyl)-2-benzylsulfanylpropanamide
CID 43187440
N-(5-amino-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 16786199
N-(5-amino-2-methoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide
CID 62410099
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 881396
2-(2-aminophenyl)sulfanyl-N-(2,5-dimethylphenyl)propanamide
CID 82095645

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide (CID 62408592) is N-(5-amino-2-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide is Cc1cc(SC(C)C(=O)Nc2cc(N)ccc2C)n(C)n1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide?
The InChIKey is IZCMFJISFUFTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-9-5-6-12(16)8-13(9)17-15(20)11(3)21-14-7-10(2)18-19(14)4/h5-8,11H,16H2,1-4H3,(H,17,20).
What are the key properties of N-(5-amino-2-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide?
N-(5-amino-2-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide has a molecular weight of 304.42 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide is sourced from PubChem (CID 62408592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).