3-[(4-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide

C24H19Cl2N3O2 — CID 19283686

IUPAC3-[(4-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)c1cccc(COc2ccc(Cl)cc2)c1
InChIInChI=1S/C24H19Cl2N3O2/c25-20-6-4-17(5-7-20)15-29-13-12-23(28-29)27-24(30)19-3-1-2-18(14-19)16-31-22-10-8-21(26)9-11-22/h1-14H,15-16H2,(H,27,28,30)
InChIKeyNYGHUNIPXJEWTO-UHFFFAOYSA-N
MW452.34 g/mol
LogP6.07
Rot. Bonds7

About 3-[(4-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide

3-[(4-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide (PubChem CID 19283686) has the molecular formula C24H19Cl2N3O2 and a molecular weight of 452.34 g/mol. Its IUPAC name is 3-[(4-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name3-[(4-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
PubChem CID19283686
Molecular FormulaC24H19Cl2N3O2
Molecular Weight452.34 g/mol
Exact Mass451.09
IUPAC Name3-[(4-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)c1cccc(COc2ccc(Cl)cc2)c1
InChIInChI=1S/C24H19Cl2N3O2/c25-20-6-4-17(5-7-20)15-29-13-12-23(28-29)27-24(30)19-3-1-2-18(14-19)16-31-22-10-8-21(26)9-11-22/h1-14H,15-16H2,(H,27,28,30)
InChIKeyNYGHUNIPXJEWTO-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-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
CID 19283696
3-[(4-chlorophenoxy)methyl]-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286735
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
3-[(2-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19283688
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
CID 19403120
3-[(3-chlorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19398867
3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284551
N-(1-benzylpyrazol-3-yl)-4-[(3-chlorophenoxy)methyl]benzamide
CID 19286274
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(difluoromethoxy)benzamide
CID 19283733
N-(1-benzylpyrazol-3-yl)-3-chlorobenzamide
CID 2991624
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2-methoxyphenoxy)methyl]benzamide
CID 19403141

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide?
The IUPAC name of 3-[(4-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide (CID 19283686) is 3-[(4-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 3-[(4-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide?
The canonical SMILES for 3-[(4-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide is O=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)c1cccc(COc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[(4-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide?
The InChIKey is NYGHUNIPXJEWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N3O2/c25-20-6-4-17(5-7-20)15-29-13-12-23(28-29)27-24(30)19-3-1-2-18(14-19)16-31-22-10-8-21(26)9-11-22/h1-14H,15-16H2,(H,27,28,30).
What are the key properties of 3-[(4-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide?
3-[(4-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]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 3-[(4-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 19283686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).