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

C13H14Cl2N4O — CID 29276076

IUPACN-(2-amino-4,6-dichlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)Nc2c(N)cc(Cl)cc2Cl)n1
InChIInChI=1S/C13H14Cl2N4O/c1-7-3-8(2)19(18-7)6-12(20)17-13-10(15)4-9(14)5-11(13)16/h3-5H,6,16H2,1-2H3,(H,17,20)
InChIKeyYLLBKGPEUHJCMA-UHFFFAOYSA-N
MW313.19 g/mol
LogP3.03
Rot. Bonds3

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

N-(2-amino-4,6-dichlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide (PubChem CID 29276076) has the molecular formula C13H14Cl2N4O and a molecular weight of 313.19 g/mol. Its IUPAC name is N-(2-amino-4,6-dichlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dichlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
PubChem CID29276076
Molecular FormulaC13H14Cl2N4O
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC NameN-(2-amino-4,6-dichlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)Nc2c(N)cc(Cl)cc2Cl)n1
InChIInChI=1S/C13H14Cl2N4O/c1-7-3-8(2)19(18-7)6-12(20)17-13-10(15)4-9(14)5-11(13)16/h3-5H,6,16H2,1-2H3,(H,17,20)
InChIKeyYLLBKGPEUHJCMA-UHFFFAOYSA-N
XLogP3.03
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 53.03
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-(2,4-dichloro-6-fluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 75501492
N-(2-amino-4,6-dichlorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 61225560
N-(3,5-dichloro-2-hydroxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 103891137
N-(2-amino-4,6-dichlorophenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 16788926
3-chloro-5-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzoic acid
CID 81369984
N-(4-amino-2,6-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 28540908
N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 19525717
3,5-dichloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]benzohydrazide
CID 26613962
N-(2-amino-4,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 16789822
N-(2-amino-4,6-dichlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 29031982
N-(2-amino-5-methoxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 63257950
2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)acetamide
CID 573590

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dichlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-(2-amino-4,6-dichlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide (CID 29276076) is N-(2-amino-4,6-dichlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-(2-amino-4,6-dichlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-(2-amino-4,6-dichlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide is Cc1cc(C)n(CC(=O)Nc2c(N)cc(Cl)cc2Cl)n1.
What is the InChIKey of N-(2-amino-4,6-dichlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The InChIKey is YLLBKGPEUHJCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4O/c1-7-3-8(2)19(18-7)6-12(20)17-13-10(15)4-9(14)5-11(13)16/h3-5H,6,16H2,1-2H3,(H,17,20).
What are the key properties of N-(2-amino-4,6-dichlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide?
N-(2-amino-4,6-dichlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide has a molecular weight of 313.19 g/mol, XLogP of 3.03, 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-(3,5-dimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 29276076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).