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

C24H19BrClN3O2 — CID 19338210

IUPAC3-[(4-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(Cc2cccc(Cl)c2)c1)c1cccc(COc2ccc(Br)cc2)c1
InChIInChI=1S/C24H19BrClN3O2/c25-20-7-9-23(10-8-20)31-16-18-4-1-5-19(11-18)24(30)28-22-13-27-29(15-22)14-17-3-2-6-21(26)12-17/h1-13,15H,14,16H2,(H,28,30)
InChIKeyCWLAFQCKNWWGCZ-UHFFFAOYSA-N
MW496.79 g/mol
LogP6.18
Rot. Bonds7

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

3-[(4-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]benzamide (PubChem CID 19338210) has the molecular formula C24H19BrClN3O2 and a molecular weight of 496.79 g/mol. Its IUPAC name is 3-[(4-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3-[(4-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]benzamide
PubChem CID19338210
Molecular FormulaC24H19BrClN3O2
Molecular Weight496.79 g/mol
Exact Mass495.03
IUPAC Name3-[(4-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(Cc2cccc(Cl)c2)c1)c1cccc(COc2ccc(Br)cc2)c1
InChIInChI=1S/C24H19BrClN3O2/c25-20-7-9-23(10-8-20)31-16-18-4-1-5-19(11-18)24(30)28-22-13-27-29(15-22)14-17-3-2-6-21(26)12-17/h1-13,15H,14,16H2,(H,28,30)
InChIKeyCWLAFQCKNWWGCZ-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

3-[(4-bromophenoxy)methyl]-N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]benzamide
CID 19403863
N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-3-[(3-chlorophenoxy)methyl]benzamide
CID 19408700
3-[(4-bromophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 4773923
3-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19338287
3-[(3-chlorophenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
CID 19346774
3-[(4-ethylphenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19401679
3-[(4-ethoxyphenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
CID 19410156
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-[(2,4-dimethylphenoxy)methyl]benzamide
CID 19404020
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
CID 19336423
4-[(4-chlorophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 19503406
3-[(4-tert-butylphenoxy)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]benzamide
CID 19408634
3-[(4-tert-butylphenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
CID 19346925

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]benzamide?
The IUPAC name of 3-[(4-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]benzamide (CID 19338210) is 3-[(4-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 3-[(4-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 3-[(4-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]benzamide is O=C(Nc1cnn(Cc2cccc(Cl)c2)c1)c1cccc(COc2ccc(Br)cc2)c1.
What is the InChIKey of 3-[(4-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]benzamide?
The InChIKey is CWLAFQCKNWWGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrClN3O2/c25-20-7-9-23(10-8-20)31-16-18-4-1-5-19(11-18)24(30)28-22-13-27-29(15-22)14-17-3-2-6-21(26)12-17/h1-13,15H,14,16H2,(H,28,30).
What are the key properties of 3-[(4-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]benzamide?
3-[(4-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-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 3-[(4-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 19338210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).