2-(4-chlorobenzoyl)-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide

C25H18Cl3N3O2 — CID 19337335

IUPAC2-(4-chlorobenzoyl)-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
SMILESCc1cc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)nn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C25H18Cl3N3O2/c1-15-12-23(30-31(15)14-17-8-11-19(27)13-22(17)28)29-25(33)21-5-3-2-4-20(21)24(32)16-6-9-18(26)10-7-16/h2-13H,14H2,1H3,(H,29,30,33)
InChIKeyJOCJJYRCJHBYST-UHFFFAOYSA-N
MW498.80 g/mol
LogP6.68
Rot. Bonds6

About 2-(4-chlorobenzoyl)-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide

2-(4-chlorobenzoyl)-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide (PubChem CID 19337335) has the molecular formula C25H18Cl3N3O2 and a molecular weight of 498.80 g/mol. Its IUPAC name is 2-(4-chlorobenzoyl)-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-(4-chlorobenzoyl)-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
PubChem CID19337335
Molecular FormulaC25H18Cl3N3O2
Molecular Weight498.80 g/mol
Exact Mass497.05
IUPAC Name2-(4-chlorobenzoyl)-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
SMILESCc1cc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)nn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C25H18Cl3N3O2/c1-15-12-23(30-31(15)14-17-8-11-19(27)13-22(17)28)29-25(33)21-5-3-2-4-20(21)24(32)16-6-9-18(26)10-7-16/h2-13H,14H2,1H3,(H,29,30,33)
InChIKeyJOCJJYRCJHBYST-UHFFFAOYSA-N
XLogP6.68
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.80
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 19337185
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
CID 19337383
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-ethoxybenzamide
CID 19337140
N-(1-benzyl-5-methylpyrazol-3-yl)-2,4-dichlorobenzamide
CID 19335076
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 19337293
4-[[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496378
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2,3,4-trimethoxybenzamide
CID 19337333
4-[(2,4-dichlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 19337198
4-[(3-chlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 19337296
N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methylbenzamide
CID 19335243
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-ethylbutanamide
CID 19337125
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(pyrazol-1-ylmethyl)benzamide
CID 19337316

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobenzoyl)-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide?
The IUPAC name of 2-(4-chlorobenzoyl)-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide (CID 19337335) is 2-(4-chlorobenzoyl)-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide.
What is the SMILES notation for 2-(4-chlorobenzoyl)-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide?
The canonical SMILES for 2-(4-chlorobenzoyl)-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide is Cc1cc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)nn1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(4-chlorobenzoyl)-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide?
The InChIKey is JOCJJYRCJHBYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl3N3O2/c1-15-12-23(30-31(15)14-17-8-11-19(27)13-22(17)28)29-25(33)21-5-3-2-4-20(21)24(32)16-6-9-18(26)10-7-16/h2-13H,14H2,1H3,(H,29,30,33).
What are the key properties of 2-(4-chlorobenzoyl)-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide?
2-(4-chlorobenzoyl)-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide has a molecular weight of 498.80 g/mol, XLogP of 6.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorobenzoyl)-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide is sourced from PubChem (CID 19337335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).