N-(3,4-dichlorophenyl)-2-pyrazol-1-ylacetamide

C11H9Cl2N3O — CID 15943479

IUPACN-(3,4-dichlorophenyl)-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H9Cl2N3O/c12-9-3-2-8(6-10(9)13)15-11(17)7-16-5-1-4-14-16/h1-6H,7H2,(H,15,17)
InChIKeyOJNBQDXTZKXOOH-UHFFFAOYSA-N
MW270.12 g/mol
LogP2.83
Rot. Bonds3

About N-(3,4-dichlorophenyl)-2-pyrazol-1-ylacetamide

N-(3,4-dichlorophenyl)-2-pyrazol-1-ylacetamide (PubChem CID 15943479) has the molecular formula C11H9Cl2N3O and a molecular weight of 270.12 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-pyrazol-1-ylacetamide
PubChem CID15943479
Molecular FormulaC11H9Cl2N3O
Molecular Weight270.12 g/mol
Exact Mass269.01
IUPAC NameN-(3,4-dichlorophenyl)-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H9Cl2N3O/c12-9-3-2-8(6-10(9)13)15-11(17)7-16-5-1-4-14-16/h1-6H,7H2,(H,15,17)
InChIKeyOJNBQDXTZKXOOH-UHFFFAOYSA-N
XLogP2.83
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 1225407
N-(3-chlorophenyl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 891989
N-(3,4-dichlorophenyl)-N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 897364
4-chloro-N-(3-chlorophenyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 903329
N-(3,4-dichlorophenyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 1224613
N-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxamide
CID 3495695
N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]-2-piperidin-1-ylacetamide
CID 24743571
1-acetyl-N-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxamide
CID 754454
N-(4-chlorophenyl)-2-methylpyrazole-3-carboxamide
CID 2837091
N-(3,5-dichlorophenyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 841172
4-chloro-N-(2,3-dichlorophenyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 892123
N-(4-chlorophenyl)-N'-(1-ethylpyrazol-4-yl)oxamide
CID 57523322

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-pyrazol-1-ylacetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-pyrazol-1-ylacetamide (CID 15943479) is N-(3,4-dichlorophenyl)-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-pyrazol-1-ylacetamide is O=C(Cn1cccn1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-pyrazol-1-ylacetamide?
The InChIKey is OJNBQDXTZKXOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O/c12-9-3-2-8(6-10(9)13)15-11(17)7-16-5-1-4-14-16/h1-6H,7H2,(H,15,17).
What are the key properties of N-(3,4-dichlorophenyl)-2-pyrazol-1-ylacetamide?
N-(3,4-dichlorophenyl)-2-pyrazol-1-ylacetamide has a molecular weight of 270.12 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 15943479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).