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

C24H18Cl3N3O2 — CID 19407652

IUPACN-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-4-[(2,4-dichlorophenoxy)methyl]benzamide
SMILESO=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccc(COc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C24H18Cl3N3O2/c25-19-7-3-16(4-8-19)13-30-14-21(12-28-30)29-24(31)18-5-1-17(2-6-18)15-32-23-10-9-20(26)11-22(23)27/h1-12,14H,13,15H2,(H,29,31)
InChIKeyMHUZTRAIQOZWNS-UHFFFAOYSA-N
MW486.79 g/mol
LogP6.72
Rot. Bonds7

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

N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-4-[(2,4-dichlorophenoxy)methyl]benzamide (PubChem CID 19407652) has the molecular formula C24H18Cl3N3O2 and a molecular weight of 486.79 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-4-[(2,4-dichlorophenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-4-[(2,4-dichlorophenoxy)methyl]benzamide
PubChem CID19407652
Molecular FormulaC24H18Cl3N3O2
Molecular Weight486.79 g/mol
Exact Mass485.05
IUPAC NameN-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-4-[(2,4-dichlorophenoxy)methyl]benzamide
SMILESO=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccc(COc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C24H18Cl3N3O2/c25-19-7-3-16(4-8-19)13-30-14-21(12-28-30)29-24(31)18-5-1-17(2-6-18)15-32-23-10-9-20(26)11-22(23)27/h1-12,14H,13,15H2,(H,29,31)
InChIKeyMHUZTRAIQOZWNS-UHFFFAOYSA-N
XLogP6.72
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.79
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,4-dichlorophenoxy)methyl]-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
CID 19340094
3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19399869
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[(2,4-difluorophenoxy)methyl]benzamide
CID 19407715
4-[(4-chlorophenoxy)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]benzamide
CID 19408613
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzamide
CID 19338284
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[(2,5-dimethylphenoxy)methyl]benzamide
CID 19407721
3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
CID 19340300
4-[(2-bromophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19400049
4-[(4-chlorophenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]benzamide
CID 19406514
4-[(2-chloro-5-methylphenoxy)methyl]-N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19406404
4-[(2-bromophenoxy)methyl]-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19395461
4-[(2-bromophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19397626

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-4-[(2,4-dichlorophenoxy)methyl]benzamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-4-[(2,4-dichlorophenoxy)methyl]benzamide (CID 19407652) is N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-4-[(2,4-dichlorophenoxy)methyl]benzamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-4-[(2,4-dichlorophenoxy)methyl]benzamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-4-[(2,4-dichlorophenoxy)methyl]benzamide is O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccc(COc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-4-[(2,4-dichlorophenoxy)methyl]benzamide?
The InChIKey is MHUZTRAIQOZWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl3N3O2/c25-19-7-3-16(4-8-19)13-30-14-21(12-28-30)29-24(31)18-5-1-17(2-6-18)15-32-23-10-9-20(26)11-22(23)27/h1-12,14H,13,15H2,(H,29,31).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-4-[(2,4-dichlorophenoxy)methyl]benzamide?
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-4-[(2,4-dichlorophenoxy)methyl]benzamide has a molecular weight of 486.79 g/mol, XLogP of 6.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-4-[(2,4-dichlorophenoxy)methyl]benzamide is sourced from PubChem (CID 19407652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).