N-(2,4-dichlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

C13H13Cl2N3O — CID 110695352

IUPACN-(2,4-dichlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1CC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H13Cl2N3O/c1-7-10(8(2)18-17-7)6-13(19)16-12-4-3-9(14)5-11(12)15/h3-5H,6H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyBMHUAWUHYBMIFQ-UHFFFAOYSA-N
MW298.17 g/mol
LogP3.51
Rot. Bonds3

About N-(2,4-dichlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

N-(2,4-dichlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (PubChem CID 110695352) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
PubChem CID110695352
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC NameN-(2,4-dichlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1CC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H13Cl2N3O/c1-7-10(8(2)18-17-7)6-13(19)16-12-4-3-9(14)5-11(12)15/h3-5H,6H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyBMHUAWUHYBMIFQ-UHFFFAOYSA-N
XLogP3.51
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-dichlorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 23654750
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-fluoro-2-methylphenyl)acetamide
CID 51072997
N-(4-bromo-2-methylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 110695334
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-hydroxy-2,3,5-trimethylphenyl)acetamide
CID 99829231
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 55259828
N-[2-(2,4-dichlorophenyl)ethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 110685590
N-[2-(4-chlorophenyl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 20950837
N-(2,4-dichlorophenyl)propanamide
CID 923083
N-(2,4-dichlorophenyl)-2-methoxyacetamide
CID 885676
N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955225
2,4-dichloro-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide
CID 110717146
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2H-triazol-4-yl)acetamide
CID 138027211

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (CID 110695352) is N-(2,4-dichlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is Cc1n[nH]c(C)c1CC(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The InChIKey is BMHUAWUHYBMIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O/c1-7-10(8(2)18-17-7)6-13(19)16-12-4-3-9(14)5-11(12)15/h3-5H,6H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-(2,4-dichlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
N-(2,4-dichlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide has a molecular weight of 298.17 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 110695352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).