N-(5-amino-2-chlorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide

C14H17ClN4O — CID 61226125

IUPACN-(5-amino-2-chlorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
SMILESCc1nn(CC(=O)Nc2cc(N)ccc2Cl)c(C)c1C
InChIInChI=1S/C14H17ClN4O/c1-8-9(2)18-19(10(8)3)7-14(20)17-13-6-11(16)4-5-12(13)15/h4-6H,7,16H2,1-3H3,(H,17,20)
InChIKeyVOEBFGDIXXEFPQ-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.68
Rot. Bonds3

About N-(5-amino-2-chlorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide

N-(5-amino-2-chlorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide (PubChem CID 61226125) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is N-(5-amino-2-chlorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-amino-2-chlorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
PubChem CID61226125
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC NameN-(5-amino-2-chlorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
SMILESCc1nn(CC(=O)Nc2cc(N)ccc2Cl)c(C)c1C
InChIInChI=1S/C14H17ClN4O/c1-8-9(2)18-19(10(8)3)7-14(20)17-13-6-11(16)4-5-12(13)15/h4-6H,7,16H2,1-3H3,(H,17,20)
InChIKeyVOEBFGDIXXEFPQ-UHFFFAOYSA-N
XLogP2.68
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-methylphenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 61225538
N-(5-amino-2-fluorophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide
CID 62129491
N-(5-amino-2-methylphenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide
CID 62057473
N-(5-amino-2-methylphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 61225930
N-(2-amino-4,6-dichlorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 61225560
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2,3-dichlorophenyl)acetamide
CID 43445407
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 8537439
N-(5-amino-2-chlorophenyl)-2-(4-methylphenyl)acetamide
CID 43548738
(5-amino-2-chlorophenyl)carbamic acid
CID 57203171
N-(5-amino-2-chlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)acetamide
CID 63216260
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 4130155
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(4-chloro-3-cyanophenyl)acetamide
CID 61118687

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-chlorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-(5-amino-2-chlorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide (CID 61226125) is N-(5-amino-2-chlorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-(5-amino-2-chlorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-(5-amino-2-chlorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide is Cc1nn(CC(=O)Nc2cc(N)ccc2Cl)c(C)c1C.
What is the InChIKey of N-(5-amino-2-chlorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
The InChIKey is VOEBFGDIXXEFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-8-9(2)18-19(10(8)3)7-14(20)17-13-6-11(16)4-5-12(13)15/h4-6H,7,16H2,1-3H3,(H,17,20).
What are the key properties of N-(5-amino-2-chlorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
N-(5-amino-2-chlorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide has a molecular weight of 292.77 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-chlorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 61226125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).