N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-phenylacetamide

C18H15Cl2N3O — CID 24525234

IUPACN-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccnn1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C18H15Cl2N3O/c19-15-7-4-8-16(20)14(15)12-23-17(9-10-21-23)22-18(24)11-13-5-2-1-3-6-13/h1-10H,11-12H2,(H,22,24)
InChIKeyPUXRDHRVSWLZSK-UHFFFAOYSA-N
MW360.24 g/mol
LogP4.42
Rot. Bonds5

About N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-phenylacetamide

N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-phenylacetamide (PubChem CID 24525234) has the molecular formula C18H15Cl2N3O and a molecular weight of 360.24 g/mol. Its IUPAC name is N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-phenylacetamide
PubChem CID24525234
Molecular FormulaC18H15Cl2N3O
Molecular Weight360.24 g/mol
Exact Mass359.06
IUPAC NameN-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccnn1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C18H15Cl2N3O/c19-15-7-4-8-16(20)14(15)12-23-17(9-10-21-23)22-18(24)11-13-5-2-1-3-6-13/h1-10H,11-12H2,(H,22,24)
InChIKeyPUXRDHRVSWLZSK-UHFFFAOYSA-N
XLogP4.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(3-fluorophenyl)acetamide
CID 24525272
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]hexanamide
CID 38996990
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-methylphenyl)acetamide
CID 18096376
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 27831482
N-(2-benzylpyrazol-3-yl)-2-(1H-indol-3-yl)acetamide
CID 17467956
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]cyclobutanecarboxamide
CID 38996984
2-(4-chlorophenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 8911690
N-(2-benzylpyrazol-3-yl)-2-(4-chlorophenoxy)acetamide
CID 2542749
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]quinoxaline-2-carboxamide
CID 46451511
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 18289526
N-(2-benzylpyrazol-3-yl)-3,4-dichlorobenzamide
CID 7589760
2-(2-chlorophenoxy)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 17468468

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-phenylacetamide?
The IUPAC name of N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-phenylacetamide (CID 24525234) is N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1ccnn1Cc1c(Cl)cccc1Cl.
What is the InChIKey of N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-phenylacetamide?
The InChIKey is PUXRDHRVSWLZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O/c19-15-7-4-8-16(20)14(15)12-23-17(9-10-21-23)22-18(24)11-13-5-2-1-3-6-13/h1-10H,11-12H2,(H,22,24).
What are the key properties of N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-phenylacetamide?
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-phenylacetamide has a molecular weight of 360.24 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-phenylacetamide is sourced from PubChem (CID 24525234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).