N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-pyrrol-1-ylbenzamide

C22H19BrN4O — CID 56536302

IUPACN-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-pyrrol-1-ylbenzamide
SMILESCc1nn(C)c(NC(=O)c2ccc(-n3cccc3)cc2)c1-c1ccc(Br)cc1
InChIInChI=1S/C22H19BrN4O/c1-15-20(16-5-9-18(23)10-6-16)21(26(2)25-15)24-22(28)17-7-11-19(12-8-17)27-13-3-4-14-27/h3-14H,1-2H3,(H,24,28)
InChIKeyZDTBGTBXEVZRQU-UHFFFAOYSA-N
MW435.33 g/mol
LogP5.20
Rot. Bonds4

About N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-pyrrol-1-ylbenzamide

N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-pyrrol-1-ylbenzamide (PubChem CID 56536302) has the molecular formula C22H19BrN4O and a molecular weight of 435.33 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-pyrrol-1-ylbenzamide
PubChem CID56536302
Molecular FormulaC22H19BrN4O
Molecular Weight435.33 g/mol
Exact Mass434.07
IUPAC NameN-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-pyrrol-1-ylbenzamide
SMILESCc1nn(C)c(NC(=O)c2ccc(-n3cccc3)cc2)c1-c1ccc(Br)cc1
InChIInChI=1S/C22H19BrN4O/c1-15-20(16-5-9-18(23)10-6-16)21(26(2)25-15)24-22(28)17-7-11-19(12-8-17)27-13-3-4-14-27/h3-14H,1-2H3,(H,24,28)
InChIKeyZDTBGTBXEVZRQU-UHFFFAOYSA-N
XLogP5.20
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.33
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-pyrrol-1-ylbenzamide 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

4-N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]benzene-1,4-dicarboxamide
CID 56575763
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 56573525
N-[4-(4-bromophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
CID 2810235
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 56536270
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 56536132
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 56536220
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-(3-methylphenyl)propanamide
CID 56573627
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56575797
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-2-(4-methylphenyl)sulfanylacetamide
CID 56536076
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-2-(4-methylphenoxy)propanamide
CID 56536116
2-(4-aminophenyl)-N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]acetamide;hydrochloride
CID 86813996
N-(1,3-dimethyl-4-phenylpyrazol-5-yl)acetamide
CID 132538742

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-pyrrol-1-ylbenzamide (CID 56536302) is N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-pyrrol-1-ylbenzamide is Cc1nn(C)c(NC(=O)c2ccc(-n3cccc3)cc2)c1-c1ccc(Br)cc1.
What is the InChIKey of N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-pyrrol-1-ylbenzamide?
The InChIKey is ZDTBGTBXEVZRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN4O/c1-15-20(16-5-9-18(23)10-6-16)21(26(2)25-15)24-22(28)17-7-11-19(12-8-17)27-13-3-4-14-27/h3-14H,1-2H3,(H,24,28).
What are the key properties of N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-pyrrol-1-ylbenzamide?
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-pyrrol-1-ylbenzamide has a molecular weight of 435.33 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 56536302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).