N-(2-benzoylphenyl)-4-bromo-1-ethylpyrazole-3-carboxamide

C19H16BrN3O2 — CID 35325026

IUPACN-(2-benzoylphenyl)-4-bromo-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(Br)c(C(=O)Nc2ccccc2C(=O)c2ccccc2)n1
InChIInChI=1S/C19H16BrN3O2/c1-2-23-12-15(20)17(22-23)19(25)21-16-11-7-6-10-14(16)18(24)13-8-4-3-5-9-13/h3-12H,2H2,1H3,(H,21,25)
InChIKeyXLOCJDRVNZBBQX-UHFFFAOYSA-N
MW398.26 g/mol
LogP4.15
Rot. Bonds5

About N-(2-benzoylphenyl)-4-bromo-1-ethylpyrazole-3-carboxamide

N-(2-benzoylphenyl)-4-bromo-1-ethylpyrazole-3-carboxamide (PubChem CID 35325026) has the molecular formula C19H16BrN3O2 and a molecular weight of 398.26 g/mol. Its IUPAC name is N-(2-benzoylphenyl)-4-bromo-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-benzoylphenyl)-4-bromo-1-ethylpyrazole-3-carboxamide
PubChem CID35325026
Molecular FormulaC19H16BrN3O2
Molecular Weight398.26 g/mol
Exact Mass397.04
IUPAC NameN-(2-benzoylphenyl)-4-bromo-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(Br)c(C(=O)Nc2ccccc2C(=O)c2ccccc2)n1
InChIInChI=1S/C19H16BrN3O2/c1-2-23-12-15(20)17(22-23)19(25)21-16-11-7-6-10-14(16)18(24)13-8-4-3-5-9-13/h3-12H,2H2,1H3,(H,21,25)
InChIKeyXLOCJDRVNZBBQX-UHFFFAOYSA-N
XLogP4.15
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.26
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-benzoylphenyl)-4-bromo-1-ethylpyrazole-3-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

methyl 2-[(4-bromo-1-ethylpyrazole-3-carbonyl)amino]benzoate
CID 994072
2-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]benzoic acid
CID 1214119
[2-[(4-bromo-1-ethylpyrazole-3-carbonyl)amino]phenyl]-tert-butylimino-oxidoazanium
CID 4582260
4-bromo-N-(2,6-dichlorophenyl)-1-ethylpyrazole-3-carboxamide
CID 19267283
N-(2-benzoylphenyl)-1-propylpyrazole-3-carboxamide
CID 35325275
4-bromo-N-(2,5-dichlorophenyl)-1-ethylpyrazole-3-carboxamide
CID 1210310
2-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]benzoate
CID 7067902
4-bromo-1-ethyl-N-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 973635
dimethyl 5-[(4-bromo-1-ethylpyrazole-3-carbonyl)amino]benzene-1,3-dicarboxylate
CID 19267253
4-bromo-1-ethyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 35324833
4-chloro-1-ethyl-N-(2-ethylphenyl)pyrazole-3-carboxamide
CID 35522358
4-bromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 19284270

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoylphenyl)-4-bromo-1-ethylpyrazole-3-carboxamide?
The IUPAC name of N-(2-benzoylphenyl)-4-bromo-1-ethylpyrazole-3-carboxamide (CID 35325026) is N-(2-benzoylphenyl)-4-bromo-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-benzoylphenyl)-4-bromo-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-benzoylphenyl)-4-bromo-1-ethylpyrazole-3-carboxamide is CCn1cc(Br)c(C(=O)Nc2ccccc2C(=O)c2ccccc2)n1.
What is the InChIKey of N-(2-benzoylphenyl)-4-bromo-1-ethylpyrazole-3-carboxamide?
The InChIKey is XLOCJDRVNZBBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O2/c1-2-23-12-15(20)17(22-23)19(25)21-16-11-7-6-10-14(16)18(24)13-8-4-3-5-9-13/h3-12H,2H2,1H3,(H,21,25).
What are the key properties of N-(2-benzoylphenyl)-4-bromo-1-ethylpyrazole-3-carboxamide?
N-(2-benzoylphenyl)-4-bromo-1-ethylpyrazole-3-carboxamide has a molecular weight of 398.26 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoylphenyl)-4-bromo-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 35325026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).