3-(4-bromophenyl)-N-phenacyl-1-phenylpyrazole-4-carboxamide

C24H18BrN3O2 — CID 1068304

IUPAC3-(4-bromophenyl)-N-phenacyl-1-phenylpyrazole-4-carboxamide
SMILESO=C(CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C24H18BrN3O2/c25-19-13-11-18(12-14-19)23-21(16-28(27-23)20-9-5-2-6-10-20)24(30)26-15-22(29)17-7-3-1-4-8-17/h1-14,16H,15H2,(H,26,30)
InChIKeyMPKXNPQBMHLOKP-UHFFFAOYSA-N
MW460.33 g/mol
LogP4.91
Rot. Bonds6

About 3-(4-bromophenyl)-N-phenacyl-1-phenylpyrazole-4-carboxamide

3-(4-bromophenyl)-N-phenacyl-1-phenylpyrazole-4-carboxamide (PubChem CID 1068304) has the molecular formula C24H18BrN3O2 and a molecular weight of 460.33 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-phenacyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-phenacyl-1-phenylpyrazole-4-carboxamide
PubChem CID1068304
Molecular FormulaC24H18BrN3O2
Molecular Weight460.33 g/mol
Exact Mass459.06
IUPAC Name3-(4-bromophenyl)-N-phenacyl-1-phenylpyrazole-4-carboxamide
SMILESO=C(CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C24H18BrN3O2/c25-19-13-11-18(12-14-19)23-21(16-28(27-23)20-9-5-2-6-10-20)24(30)26-15-22(29)17-7-3-1-4-8-17/h1-14,16H,15H2,(H,26,30)
InChIKeyMPKXNPQBMHLOKP-UHFFFAOYSA-N
XLogP4.91
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.33
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-bromophenyl)-N-phenacyl-1-phenylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-bromophenyl)-N,1-diphenylpyrazole-4-carboxamide
CID 1339749
3-(4-bromophenyl)-N-(4-hydroxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 178135055
N-benzyl-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 1340356
N-benzyl-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 1356321
1-(4-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide
CID 30604207
3-(4-bromophenyl)-N-(morpholine-4-carbothioyl)-1-phenylpyrazole-4-carboxamide
CID 2333876
N-[2-(dimethylamino)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 42282105
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-(4-ethylphenyl)-1-phenylpyrazole-4-carboxamide
CID 60516734
3-chloro-N-[2-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 34299352
propan-2-yl 2-[[3-(4-ethylphenyl)-1-phenylpyrazole-4-carbonyl]amino]acetate
CID 56551041
N-(3-hydroxybutyl)-1,3-diphenylpyrazole-4-carboxamide
CID 111429323
N-[(2-methylpyrazol-3-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide
CID 19281316

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-phenacyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(4-bromophenyl)-N-phenacyl-1-phenylpyrazole-4-carboxamide (CID 1068304) is 3-(4-bromophenyl)-N-phenacyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(4-bromophenyl)-N-phenacyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(4-bromophenyl)-N-phenacyl-1-phenylpyrazole-4-carboxamide is O=C(CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 3-(4-bromophenyl)-N-phenacyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is MPKXNPQBMHLOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrN3O2/c25-19-13-11-18(12-14-19)23-21(16-28(27-23)20-9-5-2-6-10-20)24(30)26-15-22(29)17-7-3-1-4-8-17/h1-14,16H,15H2,(H,26,30).
What are the key properties of 3-(4-bromophenyl)-N-phenacyl-1-phenylpyrazole-4-carboxamide?
3-(4-bromophenyl)-N-phenacyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 460.33 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-phenacyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 1068304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).