N-[(2,4-dichlorophenyl)methyl]-2-(2-methylpyrazol-3-yl)acetamide

C13H13Cl2N3O — CID 25061576

IUPACN-[(2,4-dichlorophenyl)methyl]-2-(2-methylpyrazol-3-yl)acetamide
SMILESCn1nccc1CC(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H13Cl2N3O/c1-18-11(4-5-17-18)7-13(19)16-8-9-2-3-10(14)6-12(9)15/h2-6H,7-8H2,1H3,(H,16,19)
InChIKeyMJQPOUGXUSXLBB-UHFFFAOYSA-N
MW298.17 g/mol
LogP2.59
Rot. Bonds4

About N-[(2,4-dichlorophenyl)methyl]-2-(2-methylpyrazol-3-yl)acetamide

N-[(2,4-dichlorophenyl)methyl]-2-(2-methylpyrazol-3-yl)acetamide (PubChem CID 25061576) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-(2-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-(2-methylpyrazol-3-yl)acetamide
PubChem CID25061576
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-(2-methylpyrazol-3-yl)acetamide
SMILESCn1nccc1CC(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H13Cl2N3O/c1-18-11(4-5-17-18)7-13(19)16-8-9-2-3-10(14)6-12(9)15/h2-6H,7-8H2,1H3,(H,16,19)
InChIKeyMJQPOUGXUSXLBB-UHFFFAOYSA-N
XLogP2.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9209741
N-[(2,4-dichlorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9268807
N-[(2,4-Dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-acetamide
CID 23654666
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(2,4-dimethylpyrazol-3-yl)acetamide
CID 25011821
n-{[2-Chloro-3-(trifluoromethyl)phenyl]methyl}-2-(4-fluoro-1-methyl-1h-pyrazol-5-yl)acetamide
CID 25061571
N-[(2,4-dichlorophenyl)methyl]-2-(1,4-dimethylpyrazol-5-yl)acetamide
CID 25061573
N-[(2-chloro-4-fluorophenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 25106660
2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-[(2-chloro-4-fluorophenyl)methyl]acetamide
CID 25106741
N-[(2-chloro-4-fluorophenyl)methyl]-2-(3-methyl-1-phenylpyrazol-4-yl)acetamide
CID 46887145
N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-methyl-1-phenylpyrazol-4-yl)acetamide
CID 46887191
N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(3-pyridinylmethyl)-1H-pyrazol-4-yl]acetamide
CID 46887252
N-[(2-chloro-4-fluorophenyl)methyl]-3-(1,4-dimethylpyrazol-5-yl)propanamide
CID 49863107

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-(2-methylpyrazol-3-yl)acetamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-(2-methylpyrazol-3-yl)acetamide (CID 25061576) is N-[(2,4-dichlorophenyl)methyl]-2-(2-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-(2-methylpyrazol-3-yl)acetamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-(2-methylpyrazol-3-yl)acetamide is Cn1nccc1CC(=O)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-(2-methylpyrazol-3-yl)acetamide?
The InChIKey is MJQPOUGXUSXLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O/c1-18-11(4-5-17-18)7-13(19)16-8-9-2-3-10(14)6-12(9)15/h2-6H,7-8H2,1H3,(H,16,19).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-(2-methylpyrazol-3-yl)acetamide?
N-[(2,4-dichlorophenyl)methyl]-2-(2-methylpyrazol-3-yl)acetamide has a molecular weight of 298.17 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-(2-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 25061576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).