N-(1-benzyl-4-chloropyrazol-3-yl)-4-[(3-chlorophenoxy)methyl]benzamide

C24H19Cl2N3O2 — CID 19400752

IUPACN-(1-benzyl-4-chloropyrazol-3-yl)-4-[(3-chlorophenoxy)methyl]benzamide
SMILESO=C(Nc1nn(Cc2ccccc2)cc1Cl)c1ccc(COc2cccc(Cl)c2)cc1
InChIInChI=1S/C24H19Cl2N3O2/c25-20-7-4-8-21(13-20)31-16-18-9-11-19(12-10-18)24(30)27-23-22(26)15-29(28-23)14-17-5-2-1-3-6-17/h1-13,15H,14,16H2,(H,27,28,30)
InChIKeyDWXLKZAMWRYGMO-UHFFFAOYSA-N
MW452.34 g/mol
LogP6.07
Rot. Bonds7

About N-(1-benzyl-4-chloropyrazol-3-yl)-4-[(3-chlorophenoxy)methyl]benzamide

N-(1-benzyl-4-chloropyrazol-3-yl)-4-[(3-chlorophenoxy)methyl]benzamide (PubChem CID 19400752) has the molecular formula C24H19Cl2N3O2 and a molecular weight of 452.34 g/mol. Its IUPAC name is N-(1-benzyl-4-chloropyrazol-3-yl)-4-[(3-chlorophenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-(1-benzyl-4-chloropyrazol-3-yl)-4-[(3-chlorophenoxy)methyl]benzamide
PubChem CID19400752
Molecular FormulaC24H19Cl2N3O2
Molecular Weight452.34 g/mol
Exact Mass451.09
IUPAC NameN-(1-benzyl-4-chloropyrazol-3-yl)-4-[(3-chlorophenoxy)methyl]benzamide
SMILESO=C(Nc1nn(Cc2ccccc2)cc1Cl)c1ccc(COc2cccc(Cl)c2)cc1
InChIInChI=1S/C24H19Cl2N3O2/c25-20-7-4-8-21(13-20)31-16-18-9-11-19(12-10-18)24(30)27-23-22(26)15-29(28-23)14-17-5-2-1-3-6-17/h1-13,15H,14,16H2,(H,27,28,30)
InChIKeyDWXLKZAMWRYGMO-UHFFFAOYSA-N
XLogP6.07
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.34
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-[(3-chlorophenoxy)methyl]benzamide
CID 19284353
N-(1-benzylpyrazol-3-yl)-4-[(3-chlorophenoxy)methyl]benzamide
CID 19286274
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-[(4-chloro-3-methylphenoxy)methyl]benzamide
CID 19402766
N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-phenylbenzamide
CID 19407354
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-[(3-chlorophenoxy)methyl]benzamide
CID 19335847
N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19400631
N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-ethoxybenzamide
CID 19407215
N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzamide
CID 19407304
4-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19409199
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-[(2,6-dimethylphenoxy)methyl]benzamide
CID 19396885
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-[(2,6-dimethylphenoxy)methyl]benzamide
CID 19402777
4-[(3-chlorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19285169

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4-chloropyrazol-3-yl)-4-[(3-chlorophenoxy)methyl]benzamide?
The IUPAC name of N-(1-benzyl-4-chloropyrazol-3-yl)-4-[(3-chlorophenoxy)methyl]benzamide (CID 19400752) is N-(1-benzyl-4-chloropyrazol-3-yl)-4-[(3-chlorophenoxy)methyl]benzamide.
What is the SMILES notation for N-(1-benzyl-4-chloropyrazol-3-yl)-4-[(3-chlorophenoxy)methyl]benzamide?
The canonical SMILES for N-(1-benzyl-4-chloropyrazol-3-yl)-4-[(3-chlorophenoxy)methyl]benzamide is O=C(Nc1nn(Cc2ccccc2)cc1Cl)c1ccc(COc2cccc(Cl)c2)cc1.
What is the InChIKey of N-(1-benzyl-4-chloropyrazol-3-yl)-4-[(3-chlorophenoxy)methyl]benzamide?
The InChIKey is DWXLKZAMWRYGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N3O2/c25-20-7-4-8-21(13-20)31-16-18-9-11-19(12-10-18)24(30)27-23-22(26)15-29(28-23)14-17-5-2-1-3-6-17/h1-13,15H,14,16H2,(H,27,28,30).
What are the key properties of N-(1-benzyl-4-chloropyrazol-3-yl)-4-[(3-chlorophenoxy)methyl]benzamide?
N-(1-benzyl-4-chloropyrazol-3-yl)-4-[(3-chlorophenoxy)methyl]benzamide has a molecular weight of 452.34 g/mol, XLogP of 6.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-4-chloropyrazol-3-yl)-4-[(3-chlorophenoxy)methyl]benzamide is sourced from PubChem (CID 19400752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).