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

C24H19Br2N3O2 — CID 19403863

IUPAC3-[(4-bromophenoxy)methyl]-N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(Cc2ccc(Br)cc2)c1)c1cccc(COc2ccc(Br)cc2)c1
InChIInChI=1S/C24H19Br2N3O2/c25-20-6-4-17(5-7-20)14-29-15-22(13-27-29)28-24(30)19-3-1-2-18(12-19)16-31-23-10-8-21(26)9-11-23/h1-13,15H,14,16H2,(H,28,30)
InChIKeyIZJHRQICZKVRQM-UHFFFAOYSA-N
MW541.24 g/mol
LogP6.29
Rot. Bonds7

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

3-[(4-bromophenoxy)methyl]-N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]benzamide (PubChem CID 19403863) has the molecular formula C24H19Br2N3O2 and a molecular weight of 541.24 g/mol. Its IUPAC name is 3-[(4-bromophenoxy)methyl]-N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3-[(4-bromophenoxy)methyl]-N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]benzamide
PubChem CID19403863
Molecular FormulaC24H19Br2N3O2
Molecular Weight541.24 g/mol
Exact Mass538.98
IUPAC Name3-[(4-bromophenoxy)methyl]-N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(Cc2ccc(Br)cc2)c1)c1cccc(COc2ccc(Br)cc2)c1
InChIInChI=1S/C24H19Br2N3O2/c25-20-6-4-17(5-7-20)14-29-15-22(13-27-29)28-24(30)19-3-1-2-18(12-19)16-31-23-10-8-21(26)9-11-23/h1-13,15H,14,16H2,(H,28,30)
InChIKeyIZJHRQICZKVRQM-UHFFFAOYSA-N
XLogP6.29
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.24
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19338210
3-[(4-bromophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 4773923
3-[(4-ethylphenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19401679
N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-3-[(3-chlorophenoxy)methyl]benzamide
CID 19408700
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-[(2,4-dimethylphenoxy)methyl]benzamide
CID 19404020
3-[(4-ethoxyphenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
CID 19410156
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-cyanobenzamide
CID 19404043
3-[(4-tert-butylphenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
CID 19346925
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
CID 19336423
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-[(4-ethylphenoxy)methyl]benzamide
CID 19412693
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-nitrobenzamide
CID 19403842
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[(2,4-difluorophenoxy)methyl]benzamide
CID 19407715

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenoxy)methyl]-N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]benzamide?
The IUPAC name of 3-[(4-bromophenoxy)methyl]-N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]benzamide (CID 19403863) is 3-[(4-bromophenoxy)methyl]-N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 3-[(4-bromophenoxy)methyl]-N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 3-[(4-bromophenoxy)methyl]-N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]benzamide is O=C(Nc1cnn(Cc2ccc(Br)cc2)c1)c1cccc(COc2ccc(Br)cc2)c1.
What is the InChIKey of 3-[(4-bromophenoxy)methyl]-N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]benzamide?
The InChIKey is IZJHRQICZKVRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Br2N3O2/c25-20-6-4-17(5-7-20)14-29-15-22(13-27-29)28-24(30)19-3-1-2-18(12-19)16-31-23-10-8-21(26)9-11-23/h1-13,15H,14,16H2,(H,28,30).
What are the key properties of 3-[(4-bromophenoxy)methyl]-N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]benzamide?
3-[(4-bromophenoxy)methyl]-N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]benzamide has a molecular weight of 541.24 g/mol, XLogP of 6.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenoxy)methyl]-N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 19403863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).