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

C15H20N4O — CID 61225538

IUPACN-(5-amino-2-methylphenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
SMILESCc1ccc(N)cc1NC(=O)Cn1nc(C)c(C)c1C
InChIInChI=1S/C15H20N4O/c1-9-5-6-13(16)7-14(9)17-15(20)8-19-12(4)10(2)11(3)18-19/h5-7H,8,16H2,1-4H3,(H,17,20)
InChIKeyBXVCYRNYSLDKQK-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.34
Rot. Bonds3

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

N-(5-amino-2-methylphenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide (PubChem CID 61225538) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
PubChem CID61225538
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-(5-amino-2-methylphenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
SMILESCc1ccc(N)cc1NC(=O)Cn1nc(C)c(C)c1C
InChIInChI=1S/C15H20N4O/c1-9-5-6-13(16)7-14(9)17-15(20)8-19-12(4)10(2)11(3)18-19/h5-7H,8,16H2,1-4H3,(H,17,20)
InChIKeyBXVCYRNYSLDKQK-UHFFFAOYSA-N
XLogP2.34
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.34
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-(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-(5-amino-2-chlorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 61226125
N-(5-amino-2-fluorophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide
CID 62129491
N-(5-amino-2-methylphenyl)-2-indazol-1-ylacetamide
CID 62141660
N-(5-amino-2-methylphenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 63769504
N-(5-amino-2-methylphenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide;hydrochloride
CID 120568461
N-(5-amino-2-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)acetamide
CID 79189234
N-(5-amino-2-methylphenyl)-2-(4-chloropyrazol-1-yl)acetamide
CID 54909628
N-(5-amino-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 16786199
N-(5-amino-2-methylphenyl)-2-(3-cyano-1,2,4-triazol-1-yl)acetamide
CID 55157356
N-(5-amino-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide
CID 120568365

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide (CID 61225538) is N-(5-amino-2-methylphenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide is Cc1ccc(N)cc1NC(=O)Cn1nc(C)c(C)c1C.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
The InChIKey is BXVCYRNYSLDKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-9-5-6-13(16)7-14(9)17-15(20)8-19-12(4)10(2)11(3)18-19/h5-7H,8,16H2,1-4H3,(H,17,20).
What are the key properties of N-(5-amino-2-methylphenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
N-(5-amino-2-methylphenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide has a molecular weight of 272.35 g/mol, XLogP of 2.34, 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-methylphenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 61225538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).