N-(3-amino-4-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide

C14H17ClN4OS — CID 62409917

IUPACN-(3-amino-4-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide
SMILESCc1cc(SC(C)C(=O)Nc2ccc(Cl)c(N)c2)n(C)n1
InChIInChI=1S/C14H17ClN4OS/c1-8-6-13(19(3)18-8)21-9(2)14(20)17-10-4-5-11(15)12(16)7-10/h4-7,9H,16H2,1-3H3,(H,17,20)
InChIKeyRGLDIYJRDMJYEM-UHFFFAOYSA-N
MW324.84 g/mol
LogP3.08
Rot. Bonds4

About N-(3-amino-4-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide

N-(3-amino-4-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide (PubChem CID 62409917) has the molecular formula C14H17ClN4OS and a molecular weight of 324.84 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide
PubChem CID62409917
Molecular FormulaC14H17ClN4OS
Molecular Weight324.84 g/mol
Exact Mass324.08
IUPAC NameN-(3-amino-4-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide
SMILESCc1cc(SC(C)C(=O)Nc2ccc(Cl)c(N)c2)n(C)n1
InChIInChI=1S/C14H17ClN4OS/c1-8-6-13(19(3)18-8)21-9(2)14(20)17-10-4-5-11(15)12(16)7-10/h4-7,9H,16H2,1-3H3,(H,17,20)
InChIKeyRGLDIYJRDMJYEM-UHFFFAOYSA-N
XLogP3.08
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.84
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide
CID 62408592
N-(3-amino-4-chlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 43104704
N-(2-amino-4-fluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide
CID 62410476
N-(3-amino-4-chlorophenyl)-2-(4-methylpyrimidin-2-yl)sulfanylpropanamide
CID 62268721
N-(3-amino-4-chlorophenyl)-2-(2-hydroxyethylsulfanyl)propanamide
CID 43617429
N-(3-amino-4-chlorophenyl)-2-(4-hydroxybutan-2-ylsulfanyl)propanamide
CID 66139195
N-(3-amino-4-chlorophenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
CID 62128703
N-(3-amino-4-chlorophenyl)-2-(dimethylamino)-3-methylbutanamide
CID 82224820
N-(3-amino-4-chlorophenyl)-2-[ethyl(methyl)amino]propanamide
CID 43262968
2-(4-chlorophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide
CID 2865350
(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3,4-dichlorophenyl)propanamide
CID 30580924
N-(3-amino-4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
CID 43125053

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide (CID 62409917) is N-(3-amino-4-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide is Cc1cc(SC(C)C(=O)Nc2ccc(Cl)c(N)c2)n(C)n1.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide?
The InChIKey is RGLDIYJRDMJYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4OS/c1-8-6-13(19(3)18-8)21-9(2)14(20)17-10-4-5-11(15)12(16)7-10/h4-7,9H,16H2,1-3H3,(H,17,20).
What are the key properties of N-(3-amino-4-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide?
N-(3-amino-4-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide has a molecular weight of 324.84 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide is sourced from PubChem (CID 62409917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).