N-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-2-methoxyacetamide

C12H11Cl2N3O2 — CID 75441303

IUPACN-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C12H11Cl2N3O2/c1-19-7-12(18)15-11-4-5-17(16-11)10-3-2-8(13)6-9(10)14/h2-6H,7H2,1H3,(H,15,16,18)
InChIKeyNUXAJSTUHDANBE-UHFFFAOYSA-N
MW300.15 g/mol
LogP2.76
Rot. Bonds4

About N-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-2-methoxyacetamide

N-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-2-methoxyacetamide (PubChem CID 75441303) has the molecular formula C12H11Cl2N3O2 and a molecular weight of 300.15 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-2-methoxyacetamide
PubChem CID75441303
Molecular FormulaC12H11Cl2N3O2
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC NameN-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C12H11Cl2N3O2/c1-19-7-12(18)15-11-4-5-17(16-11)10-3-2-8(13)6-9(10)14/h2-6H,7H2,1H3,(H,15,16,18)
InChIKeyNUXAJSTUHDANBE-UHFFFAOYSA-N
XLogP2.76
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-Dichlorophenyl)-3-(1-methyl-3-pyrazolyl)urea
CID 970792
N-[2-(4-chlorophenyl)pyrazol-3-yl]-2-methoxyacetamide
CID 71993390
N-[2-(4-chlorophenyl)pyrazol-3-yl]-2-(2-methoxyethoxy)acetamide
CID 71993387
N-[2-(4-chlorophenyl)pyrazol-3-yl]-3-ethoxypropanamide
CID 72118219
1-[1-(2,4-Dichlorophenyl)-5-methylpyrazol-3-yl]-3-(2-hydroxyethyl)urea
CID 75447230
N-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-hydroxyacetamide
CID 84597844
(2S,3S)-N-[1-(4-chlorophenyl)pyrazol-3-yl]-3-methyl-1,4-dioxane-2-carboxamide
CID 136586600
(2S)-4-[[1-(2,4-dichlorophenyl)pyrazol-3-yl]carbamoyl]morpholine-2-carboxylic acid
CID 164637700
N-[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-(2-methoxyethoxy)acetamide
CID 14277127
N-[2-(2,4-dichloro-3,5,6-trifluorophenyl)pyrazol-3-yl]acetamide
CID 14517407
N-[2-(2,4-dichloro-3,5,6-trifluorophenyl)pyrazol-3-yl]propanamide
CID 14517410
N-[1-(2,4-dichloro-3,5,6-trifluorophenyl)pyrazol-3-yl]acetamide
CID 21616474

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-2-methoxyacetamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-2-methoxyacetamide (CID 75441303) is N-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-2-methoxyacetamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-2-methoxyacetamide is COCC(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-2-methoxyacetamide?
The InChIKey is NUXAJSTUHDANBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O2/c1-19-7-12(18)15-11-4-5-17(16-11)10-3-2-8(13)6-9(10)14/h2-6H,7H2,1H3,(H,15,16,18).
What are the key properties of N-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-2-methoxyacetamide?
N-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-2-methoxyacetamide has a molecular weight of 300.15 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-2-methoxyacetamide is sourced from PubChem (CID 75441303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).