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

C16H19Cl2N3O — CID 38996990

IUPACN-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]hexanamide
SMILESCCCCCC(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C16H19Cl2N3O/c1-2-3-4-8-16(22)20-15-9-10-19-21(15)11-12-13(17)6-5-7-14(12)18/h5-7,9-10H,2-4,8,11H2,1H3,(H,20,22)
InChIKeyHZRVPKRLUYRALW-UHFFFAOYSA-N
MW340.25 g/mol
LogP4.76
Rot. Bonds7

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

N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]hexanamide (PubChem CID 38996990) has the molecular formula C16H19Cl2N3O and a molecular weight of 340.25 g/mol. Its IUPAC name is N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]hexanamide.

Molecular Properties

Compound NameN-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]hexanamide
PubChem CID38996990
Molecular FormulaC16H19Cl2N3O
Molecular Weight340.25 g/mol
Exact Mass339.09
IUPAC NameN-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]hexanamide
SMILESCCCCCC(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C16H19Cl2N3O/c1-2-3-4-8-16(22)20-15-9-10-19-21(15)11-12-13(17)6-5-7-14(12)18/h5-7,9-10H,2-4,8,11H2,1H3,(H,20,22)
InChIKeyHZRVPKRLUYRALW-UHFFFAOYSA-N
XLogP4.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-phenylacetamide
CID 24525234
N-(2-butylpyrazol-3-yl)-3-(2,3-dichlorophenyl)propanamide
CID 60557715
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide
CID 24525295
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide
CID 51248422
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(3-fluorophenyl)acetamide
CID 24525272
N-(2,6-dichlorophenyl)decanamide
CID 3269237
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]cyclobutanecarboxamide
CID 38996984
N-(2-butylpyrazol-3-yl)-2-chloroacetamide
CID 50987917
N-(2-chlorophenyl)hexanamide
CID 4644560
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide;hydrochloride
CID 119696680
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-(methylamino)butanamide
CID 119695467
N-(2-chlorophenyl)octanamide
CID 2292983

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]hexanamide?
The IUPAC name of N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]hexanamide (CID 38996990) is N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]hexanamide.
What is the SMILES notation for N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]hexanamide?
The canonical SMILES for N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]hexanamide is CCCCCC(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl.
What is the InChIKey of N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]hexanamide?
The InChIKey is HZRVPKRLUYRALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O/c1-2-3-4-8-16(22)20-15-9-10-19-21(15)11-12-13(17)6-5-7-14(12)18/h5-7,9-10H,2-4,8,11H2,1H3,(H,20,22).
What are the key properties of N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]hexanamide?
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]hexanamide has a molecular weight of 340.25 g/mol, XLogP of 4.76, 7 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]hexanamide is sourced from PubChem (CID 38996990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).