3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide

C25H21Cl2N3O2 — CID 19284551

IUPAC3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
SMILESCc1ccc(Cn2ccc(NC(=O)c3cccc(COc4ccc(Cl)cc4Cl)c3)n2)cc1
InChIInChI=1S/C25H21Cl2N3O2/c1-17-5-7-18(8-6-17)15-30-12-11-24(29-30)28-25(31)20-4-2-3-19(13-20)16-32-23-10-9-21(26)14-22(23)27/h2-14H,15-16H2,1H3,(H,28,29,31)
InChIKeyCXPOVROIYOVHBO-UHFFFAOYSA-N
MW466.37 g/mol
LogP6.38
Rot. Bonds7

About 3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide

3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide (PubChem CID 19284551) has the molecular formula C25H21Cl2N3O2 and a molecular weight of 466.37 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
PubChem CID19284551
Molecular FormulaC25H21Cl2N3O2
Molecular Weight466.37 g/mol
Exact Mass465.10
IUPAC Name3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
SMILESCc1ccc(Cn2ccc(NC(=O)c3cccc(COc4ccc(Cl)cc4Cl)c3)n2)cc1
InChIInChI=1S/C25H21Cl2N3O2/c1-17-5-7-18(8-6-17)15-30-12-11-24(29-30)28-25(31)20-4-2-3-19(13-20)16-32-23-10-9-21(26)14-22(23)27/h2-14H,15-16H2,1H3,(H,28,29,31)
InChIKeyCXPOVROIYOVHBO-UHFFFAOYSA-N
XLogP6.38
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.37
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19283688
3-[(2,4-difluorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284664
N-(1-benzylpyrazol-3-yl)-3-[(2,5-dimethylphenoxy)methyl]benzamide
CID 19286281
3-[(4-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19283686
3-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400976
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2,4-dimethylphenoxy)methyl]benzamide
CID 19285496
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-[(2,5-dimethylphenoxy)methyl]benzamide
CID 19285735
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2-methoxyphenoxy)methyl]benzamide
CID 19403141
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
CID 19283696
3-[(3-chlorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19398867
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(4-ethylphenoxy)methyl]benzamide
CID 19403127
3-[(3-bromophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19283705

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide?
The IUPAC name of 3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide (CID 19284551) is 3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide?
The canonical SMILES for 3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide is Cc1ccc(Cn2ccc(NC(=O)c3cccc(COc4ccc(Cl)cc4Cl)c3)n2)cc1.
What is the InChIKey of 3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide?
The InChIKey is CXPOVROIYOVHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2N3O2/c1-17-5-7-18(8-6-17)15-30-12-11-24(29-30)28-25(31)20-4-2-3-19(13-20)16-32-23-10-9-21(26)14-22(23)27/h2-14H,15-16H2,1H3,(H,28,29,31).
What are the key properties of 3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide?
3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide has a molecular weight of 466.37 g/mol, XLogP of 6.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 19284551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).