N-(1-benzyl-5-methylpyrazol-3-yl)-2,4-dichlorobenzamide

C18H15Cl2N3O — CID 19335076

IUPACN-(1-benzyl-5-methylpyrazol-3-yl)-2,4-dichlorobenzamide
SMILESCc1cc(NC(=O)c2ccc(Cl)cc2Cl)nn1Cc1ccccc1
InChIInChI=1S/C18H15Cl2N3O/c1-12-9-17(22-23(12)11-13-5-3-2-4-6-13)21-18(24)15-8-7-14(19)10-16(15)20/h2-10H,11H2,1H3,(H,21,22,24)
InChIKeyJLKOWZDUBOWWMK-UHFFFAOYSA-N
MW360.24 g/mol
LogP4.80
Rot. Bonds4

About N-(1-benzyl-5-methylpyrazol-3-yl)-2,4-dichlorobenzamide

N-(1-benzyl-5-methylpyrazol-3-yl)-2,4-dichlorobenzamide (PubChem CID 19335076) has the molecular formula C18H15Cl2N3O and a molecular weight of 360.24 g/mol. Its IUPAC name is N-(1-benzyl-5-methylpyrazol-3-yl)-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-(1-benzyl-5-methylpyrazol-3-yl)-2,4-dichlorobenzamide
PubChem CID19335076
Molecular FormulaC18H15Cl2N3O
Molecular Weight360.24 g/mol
Exact Mass359.06
IUPAC NameN-(1-benzyl-5-methylpyrazol-3-yl)-2,4-dichlorobenzamide
SMILESCc1cc(NC(=O)c2ccc(Cl)cc2Cl)nn1Cc1ccccc1
InChIInChI=1S/C18H15Cl2N3O/c1-12-9-17(22-23(12)11-13-5-3-2-4-6-13)21-18(24)15-8-7-14(19)10-16(15)20/h2-10H,11H2,1H3,(H,21,22,24)
InChIKeyJLKOWZDUBOWWMK-UHFFFAOYSA-N
XLogP4.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide
CID 19392895
2-(4-chlorobenzoyl)-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 19337335
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide
CID 19337089
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-iodobenzamide
CID 19392905
5-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-methoxybenzamide
CID 19393131
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2,4-dimethoxybenzamide
CID 19411613
3-[(1-benzyl-5-methylpyrazol-3-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19498375
N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-oxopropanamide
CID 19284125
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dimethylbenzamide
CID 19411607
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2,3,4-trimethoxybenzamide
CID 19337333
4-[[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496378
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-fluorobenzamide
CID 19411471

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-5-methylpyrazol-3-yl)-2,4-dichlorobenzamide?
The IUPAC name of N-(1-benzyl-5-methylpyrazol-3-yl)-2,4-dichlorobenzamide (CID 19335076) is N-(1-benzyl-5-methylpyrazol-3-yl)-2,4-dichlorobenzamide.
What is the SMILES notation for N-(1-benzyl-5-methylpyrazol-3-yl)-2,4-dichlorobenzamide?
The canonical SMILES for N-(1-benzyl-5-methylpyrazol-3-yl)-2,4-dichlorobenzamide is Cc1cc(NC(=O)c2ccc(Cl)cc2Cl)nn1Cc1ccccc1.
What is the InChIKey of N-(1-benzyl-5-methylpyrazol-3-yl)-2,4-dichlorobenzamide?
The InChIKey is JLKOWZDUBOWWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O/c1-12-9-17(22-23(12)11-13-5-3-2-4-6-13)21-18(24)15-8-7-14(19)10-16(15)20/h2-10H,11H2,1H3,(H,21,22,24).
What are the key properties of N-(1-benzyl-5-methylpyrazol-3-yl)-2,4-dichlorobenzamide?
N-(1-benzyl-5-methylpyrazol-3-yl)-2,4-dichlorobenzamide has a molecular weight of 360.24 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-5-methylpyrazol-3-yl)-2,4-dichlorobenzamide is sourced from PubChem (CID 19335076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).