4-benzamido-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]benzamide

C24H19BrN4O2 — CID 43048740

IUPAC4-benzamido-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccc(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)cc1)c1ccccc1
InChIInChI=1S/C24H19BrN4O2/c25-20-10-6-17(7-11-20)16-29-22(14-15-26-29)28-24(31)19-8-12-21(13-9-19)27-23(30)18-4-2-1-3-5-18/h1-15H,16H2,(H,27,30)(H,28,31)
InChIKeyBEMIJVHNPBLQTF-UHFFFAOYSA-N
MW475.35 g/mol
LogP5.20
Rot. Bonds6

About 4-benzamido-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]benzamide

4-benzamido-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]benzamide (PubChem CID 43048740) has the molecular formula C24H19BrN4O2 and a molecular weight of 475.35 g/mol. Its IUPAC name is 4-benzamido-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-benzamido-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]benzamide
PubChem CID43048740
Molecular FormulaC24H19BrN4O2
Molecular Weight475.35 g/mol
Exact Mass474.07
IUPAC Name4-benzamido-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccc(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)cc1)c1ccccc1
InChIInChI=1S/C24H19BrN4O2/c25-20-10-6-17(7-11-20)16-29-22(14-15-26-29)28-24(31)19-8-12-21(13-9-19)27-23(30)18-4-2-1-3-5-18/h1-15H,16H2,(H,27,30)(H,28,31)
InChIKeyBEMIJVHNPBLQTF-UHFFFAOYSA-N
XLogP5.20
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.35
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-chlorobenzamide
CID 7504732
N-(2-benzylpyrazol-3-yl)-4-iodobenzamide
CID 55359598
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 27831460
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-chloropyridine-4-carboxamide
CID 32696325
N-(2-benzylpyrazol-3-yl)-3,4-dichlorobenzamide
CID 7589760
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-methyl-3-nitrobenzamide
CID 27831565
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]propanamide
CID 86907615
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 34074376
N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-4-chlorobenzamide
CID 55452348
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-phenylbutanamide
CID 55396911
N-(2-benzylpyrazol-3-yl)-2-(4-bromophenoxy)acetamide
CID 7589903
N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]naphthalene-2-carboxamide
CID 26725865

Frequently Asked Questions

What is the IUPAC name of 4-benzamido-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]benzamide?
The IUPAC name of 4-benzamido-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]benzamide (CID 43048740) is 4-benzamido-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-benzamido-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]benzamide?
The canonical SMILES for 4-benzamido-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]benzamide is O=C(Nc1ccc(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)cc1)c1ccccc1.
What is the InChIKey of 4-benzamido-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]benzamide?
The InChIKey is BEMIJVHNPBLQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrN4O2/c25-20-10-6-17(7-11-20)16-29-22(14-15-26-29)28-24(31)19-8-12-21(13-9-19)27-23(30)18-4-2-1-3-5-18/h1-15H,16H2,(H,27,30)(H,28,31).
What are the key properties of 4-benzamido-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]benzamide?
4-benzamido-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]benzamide has a molecular weight of 475.35 g/mol, XLogP of 5.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 43048740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).