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

C23H18BrN3O2 — CID 172876440

IUPACN-(4-bromophenyl)-4-[3-(3-methoxyphenyl)pyrazol-1-yl]benzamide
SMILESCOc1cccc(-c2ccn(-c3ccc(C(=O)Nc4ccc(Br)cc4)cc3)n2)c1
InChIInChI=1S/C23H18BrN3O2/c1-29-21-4-2-3-17(15-21)22-13-14-27(26-22)20-11-5-16(6-12-20)23(28)25-19-9-7-18(24)8-10-19/h2-15H,1H3,(H,25,28)
InChIKeyZJRWRBXWEGLSPI-UHFFFAOYSA-N
MW448.32 g/mol
LogP5.56
Rot. Bonds5

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

N-(4-bromophenyl)-4-[3-(3-methoxyphenyl)pyrazol-1-yl]benzamide (PubChem CID 172876440) has the molecular formula C23H18BrN3O2 and a molecular weight of 448.32 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-[3-(3-methoxyphenyl)pyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-[3-(3-methoxyphenyl)pyrazol-1-yl]benzamide
PubChem CID172876440
Molecular FormulaC23H18BrN3O2
Molecular Weight448.32 g/mol
Exact Mass447.06
IUPAC NameN-(4-bromophenyl)-4-[3-(3-methoxyphenyl)pyrazol-1-yl]benzamide
SMILESCOc1cccc(-c2ccn(-c3ccc(C(=O)Nc4ccc(Br)cc4)cc3)n2)c1
InChIInChI=1S/C23H18BrN3O2/c1-29-21-4-2-3-17(15-21)22-13-14-27(26-22)20-11-5-16(6-12-20)23(28)25-19-9-7-18(24)8-10-19/h2-15H,1H3,(H,25,28)
InChIKeyZJRWRBXWEGLSPI-UHFFFAOYSA-N
XLogP5.56
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.32
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-4-[3-(4-chlorophenyl)pyrazol-1-yl]benzamide
CID 172876438
N-(4-bromophenyl)-1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxamide
CID 7693130
N-(4-acetylphenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121088698
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535
3,5-dimethoxy-N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]benzamide
CID 46090564
3-methoxy-N-(4-pyrazol-1-ylphenyl)benzamide
CID 31923113
N-(4-acetamidophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121089505
N-(4-bromophenyl)-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116889
N-(4-bromophenyl)-1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745504
4-(4-bromopyrazol-1-yl)-N-(4-methoxyphenyl)benzamide
CID 38761721
N-(4-bromophenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100747027
N-(4-bromophenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109269383

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-[3-(3-methoxyphenyl)pyrazol-1-yl]benzamide?
The IUPAC name of N-(4-bromophenyl)-4-[3-(3-methoxyphenyl)pyrazol-1-yl]benzamide (CID 172876440) is N-(4-bromophenyl)-4-[3-(3-methoxyphenyl)pyrazol-1-yl]benzamide.
What is the SMILES notation for N-(4-bromophenyl)-4-[3-(3-methoxyphenyl)pyrazol-1-yl]benzamide?
The canonical SMILES for N-(4-bromophenyl)-4-[3-(3-methoxyphenyl)pyrazol-1-yl]benzamide is COc1cccc(-c2ccn(-c3ccc(C(=O)Nc4ccc(Br)cc4)cc3)n2)c1.
What is the InChIKey of N-(4-bromophenyl)-4-[3-(3-methoxyphenyl)pyrazol-1-yl]benzamide?
The InChIKey is ZJRWRBXWEGLSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrN3O2/c1-29-21-4-2-3-17(15-21)22-13-14-27(26-22)20-11-5-16(6-12-20)23(28)25-19-9-7-18(24)8-10-19/h2-15H,1H3,(H,25,28).
What are the key properties of N-(4-bromophenyl)-4-[3-(3-methoxyphenyl)pyrazol-1-yl]benzamide?
N-(4-bromophenyl)-4-[3-(3-methoxyphenyl)pyrazol-1-yl]benzamide has a molecular weight of 448.32 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-[3-(3-methoxyphenyl)pyrazol-1-yl]benzamide is sourced from PubChem (CID 172876440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).