N-(3,4-dichlorophenyl)-2-(5-methylpyrazol-1-yl)acetamide

C12H11Cl2N3O — CID 19522722

IUPACN-(3,4-dichlorophenyl)-2-(5-methylpyrazol-1-yl)acetamide
SMILESCc1ccnn1CC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H11Cl2N3O/c1-8-4-5-15-17(8)7-12(18)16-9-2-3-10(13)11(14)6-9/h2-6H,7H2,1H3,(H,16,18)
InChIKeyOIFZOZUTMVDQKU-UHFFFAOYSA-N
MW284.15 g/mol
LogP3.14
Rot. Bonds3

About N-(3,4-dichlorophenyl)-2-(5-methylpyrazol-1-yl)acetamide

N-(3,4-dichlorophenyl)-2-(5-methylpyrazol-1-yl)acetamide (PubChem CID 19522722) has the molecular formula C12H11Cl2N3O and a molecular weight of 284.15 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-(5-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-(5-methylpyrazol-1-yl)acetamide
PubChem CID19522722
Molecular FormulaC12H11Cl2N3O
Molecular Weight284.15 g/mol
Exact Mass283.03
IUPAC NameN-(3,4-dichlorophenyl)-2-(5-methylpyrazol-1-yl)acetamide
SMILESCc1ccnn1CC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H11Cl2N3O/c1-8-4-5-15-17(8)7-12(18)16-9-2-3-10(13)11(14)6-9/h2-6H,7H2,1H3,(H,16,18)
InChIKeyOIFZOZUTMVDQKU-UHFFFAOYSA-N
XLogP3.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(diethylamino)phenyl]-2-(5-methylpyrazol-1-yl)acetamide
CID 19522697
N-(5-chloro-2-methylphenyl)-2-(5-methylpyrazol-1-yl)acetamide
CID 19522694
N-(3,4-dichlorophenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 19526409
2-(5-methylpyrazol-1-yl)-N-(5-methyl-2-pyridinyl)acetamide
CID 35762634
2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 1211554
2-(5-chloro-6-oxopyridazin-1-yl)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 155804497
N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(5-methylpyrazol-1-yl)acetamide
CID 19522980
N-(5-bromo-2-pyridinyl)-2-(5-methylpyrazol-1-yl)acetamide
CID 19522706
[2-(3,4-dichloroanilino)-2-oxoethyl]carbamic acid
CID 71381636
N-(3,4-dichlorophenyl)-2-(3-methylimidazol-3-ium-1-yl)acetamide chloride
CID 44722018
N-(3,4-dichlorophenyl)-2-(2-hydroxyethylamino)acetamide
CID 82358474
N-(3,4-dichlorophenyl)-2-(6-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39059062

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-(5-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-(5-methylpyrazol-1-yl)acetamide (CID 19522722) is N-(3,4-dichlorophenyl)-2-(5-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-(5-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-(5-methylpyrazol-1-yl)acetamide is Cc1ccnn1CC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-(5-methylpyrazol-1-yl)acetamide?
The InChIKey is OIFZOZUTMVDQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O/c1-8-4-5-15-17(8)7-12(18)16-9-2-3-10(13)11(14)6-9/h2-6H,7H2,1H3,(H,16,18).
What are the key properties of N-(3,4-dichlorophenyl)-2-(5-methylpyrazol-1-yl)acetamide?
N-(3,4-dichlorophenyl)-2-(5-methylpyrazol-1-yl)acetamide has a molecular weight of 284.15 g/mol, XLogP of 3.14, 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-(5-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 19522722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).