N-(2-amino-4,6-dichlorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide

C14H16Cl2N4O — CID 61225560

IUPACN-(2-amino-4,6-dichlorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
SMILESCc1nn(CC(=O)Nc2c(N)cc(Cl)cc2Cl)c(C)c1C
InChIInChI=1S/C14H16Cl2N4O/c1-7-8(2)19-20(9(7)3)6-13(21)18-14-11(16)4-10(15)5-12(14)17/h4-5H,6,17H2,1-3H3,(H,18,21)
InChIKeyHZIHUGPGWOXFST-UHFFFAOYSA-N
MW327.22 g/mol
LogP3.34
Rot. Bonds3

About N-(2-amino-4,6-dichlorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide

N-(2-amino-4,6-dichlorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide (PubChem CID 61225560) has the molecular formula C14H16Cl2N4O and a molecular weight of 327.22 g/mol. Its IUPAC name is N-(2-amino-4,6-dichlorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dichlorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
PubChem CID61225560
Molecular FormulaC14H16Cl2N4O
Molecular Weight327.22 g/mol
Exact Mass326.07
IUPAC NameN-(2-amino-4,6-dichlorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
SMILESCc1nn(CC(=O)Nc2c(N)cc(Cl)cc2Cl)c(C)c1C
InChIInChI=1S/C14H16Cl2N4O/c1-7-8(2)19-20(9(7)3)6-13(21)18-14-11(16)4-10(15)5-12(14)17/h4-5H,6,17H2,1-3H3,(H,18,21)
InChIKeyHZIHUGPGWOXFST-UHFFFAOYSA-N
XLogP3.34
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 53.34
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-(2-amino-4,6-dichlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 29276076
N-(5-amino-2-chlorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 61226125
N-(2-amino-4,6-dichlorophenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 16788926
N-(5-amino-2-methylphenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 61225538
N-(2-amino-4,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 16789822
N-(2-amino-4,6-dichlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide
CID 43619929
N-(2,4-dichloro-6-fluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 75501492
N-(2-amino-4,6-dichlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 29031982
N-(2-amino-4,6-dichlorophenyl)-2-(3-methylbutylsulfanyl)acetamide
CID 107749089
methyl 2-[2-(2-amino-4,6-dichloroanilino)-2-oxoethyl]sulfanylacetate
CID 43617977
N-(2-amino-4,6-dichlorophenyl)-3-propylsulfanylpropanamide
CID 29292059
N-(2-amino-4,6-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 29276726

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dichlorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-(2-amino-4,6-dichlorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide (CID 61225560) is N-(2-amino-4,6-dichlorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-(2-amino-4,6-dichlorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-(2-amino-4,6-dichlorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide is Cc1nn(CC(=O)Nc2c(N)cc(Cl)cc2Cl)c(C)c1C.
What is the InChIKey of N-(2-amino-4,6-dichlorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
The InChIKey is HZIHUGPGWOXFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4O/c1-7-8(2)19-20(9(7)3)6-13(21)18-14-11(16)4-10(15)5-12(14)17/h4-5H,6,17H2,1-3H3,(H,18,21).
What are the key properties of N-(2-amino-4,6-dichlorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
N-(2-amino-4,6-dichlorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide has a molecular weight of 327.22 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-dichlorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 61225560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).