4-[(2-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide

C24H19BrClN3O2 — CID 19403091

IUPAC4-[(2-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccn(Cc2cccc(Cl)c2)n1)c1ccc(COc2ccccc2Br)cc1
InChIInChI=1S/C24H19BrClN3O2/c25-21-6-1-2-7-22(21)31-16-17-8-10-19(11-9-17)24(30)27-23-12-13-29(28-23)15-18-4-3-5-20(26)14-18/h1-14H,15-16H2,(H,27,28,30)
InChIKeyQNXMYOOBRHGIDU-UHFFFAOYSA-N
MW496.79 g/mol
LogP6.18
Rot. Bonds7

About 4-[(2-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide

4-[(2-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide (PubChem CID 19403091) has the molecular formula C24H19BrClN3O2 and a molecular weight of 496.79 g/mol. Its IUPAC name is 4-[(2-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-[(2-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide
PubChem CID19403091
Molecular FormulaC24H19BrClN3O2
Molecular Weight496.79 g/mol
Exact Mass495.03
IUPAC Name4-[(2-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccn(Cc2cccc(Cl)c2)n1)c1ccc(COc2ccccc2Br)cc1
InChIInChI=1S/C24H19BrClN3O2/c25-21-6-1-2-7-22(21)31-16-17-8-10-19(11-9-17)24(30)27-23-12-13-29(28-23)15-18-4-3-5-20(26)14-18/h1-14H,15-16H2,(H,27,28,30)
InChIKeyQNXMYOOBRHGIDU-UHFFFAOYSA-N
XLogP6.18
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.79
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpyrazol-3-yl)-4-[(3-chlorophenoxy)methyl]benzamide
CID 19286274
4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19403078
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2-methoxyphenoxy)methyl]benzamide
CID 19403141
3-[(2-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19283688
4-[(3-chlorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19285169
4-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19285165
3-[(3-chlorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19398867
N-(1-benzylpyrazol-3-yl)-3-chlorobenzamide
CID 2991624
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(4-ethylphenoxy)methyl]benzamide
CID 19403127
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-4-nitrobenzamide
CID 19406942
3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284551
3-[(4-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19283686

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide?
The IUPAC name of 4-[(2-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide (CID 19403091) is 4-[(2-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-[(2-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide?
The canonical SMILES for 4-[(2-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide is O=C(Nc1ccn(Cc2cccc(Cl)c2)n1)c1ccc(COc2ccccc2Br)cc1.
What is the InChIKey of 4-[(2-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide?
The InChIKey is QNXMYOOBRHGIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrClN3O2/c25-21-6-1-2-7-22(21)31-16-17-8-10-19(11-9-17)24(30)27-23-12-13-29(28-23)15-18-4-3-5-20(26)14-18/h1-14H,15-16H2,(H,27,28,30).
What are the key properties of 4-[(2-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide?
4-[(2-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide has a molecular weight of 496.79 g/mol, XLogP of 6.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 19403091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).