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

C13H13Cl2N3O — CID 47423250

IUPAC2-(2,4-dichlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide
SMILESCCc1cc(NC(=O)Cc2ccc(Cl)cc2Cl)n[nH]1
InChIInChI=1S/C13H13Cl2N3O/c1-2-10-7-12(18-17-10)16-13(19)5-8-3-4-9(14)6-11(8)15/h3-4,6-7H,2,5H2,1H3,(H2,16,17,18,19)
InChIKeyPZGGPVPLCJPKLA-UHFFFAOYSA-N
MW298.17 g/mol
LogP3.46
Rot. Bonds4

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

2-(2,4-dichlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide (PubChem CID 47423250) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide
PubChem CID47423250
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC Name2-(2,4-dichlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide
SMILESCCc1cc(NC(=O)Cc2ccc(Cl)cc2Cl)n[nH]1
InChIInChI=1S/C13H13Cl2N3O/c1-2-10-7-12(18-17-10)16-13(19)5-8-3-4-9(14)6-11(8)15/h3-4,6-7H,2,5H2,1H3,(H2,16,17,18,19)
InChIKeyPZGGPVPLCJPKLA-UHFFFAOYSA-N
XLogP3.46
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide
CID 112698162
N-(5-ethyl-1H-pyrazol-3-yl)-2-(2-hydroxyphenyl)acetamide
CID 113229818
2-(2-chlorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 115619750
1-(3,4-dichlorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620378
3-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-fluorobenzamide
CID 113263522
3-(4-chlorophenyl)sulfanyl-N-(5-ethyl-1H-pyrazol-3-yl)propanamide
CID 115776629
N-(5-ethyl-1H-pyrazol-3-yl)-2-(1H-pyrazol-5-yl)acetamide
CID 115663310
2,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 113433751
N-(5-ethyl-1H-pyrazol-3-yl)-2-thiophen-2-ylacetamide
CID 104619581
2-(2,3-dihydro-1H-inden-5-yl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide
CID 115593756
2-(4-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)-3-methylbutanamide
CID 115609317
(3R)-3-acetamido-3-(4-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide
CID 95325065

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide (CID 47423250) is 2-(2,4-dichlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide is CCc1cc(NC(=O)Cc2ccc(Cl)cc2Cl)n[nH]1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is PZGGPVPLCJPKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O/c1-2-10-7-12(18-17-10)16-13(19)5-8-3-4-9(14)6-11(8)15/h3-4,6-7H,2,5H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-(2,4-dichlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide?
2-(2,4-dichlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 298.17 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 47423250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).