1-[2-[5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-1-yl]-5-fluorophenyl]ethanone

C17H16BrFN4O — CID 164718794

IUPAC1-[2-[5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-1-yl]-5-fluorophenyl]ethanone
SMILESCCn1ncc(Cc2cncn2-c2ccc(F)cc2C(C)=O)c1Br
InChIInChI=1S/C17H16BrFN4O/c1-3-23-17(18)12(8-21-23)6-14-9-20-10-22(14)16-5-4-13(19)7-15(16)11(2)24/h4-5,7-10H,3,6H2,1-2H3
InChIKeyKJCKRHKEQXJEAA-UHFFFAOYSA-N
MW391.24 g/mol
LogP3.78
Rot. Bonds5

About 1-[2-[5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-1-yl]-5-fluorophenyl]ethanone

1-[2-[5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-1-yl]-5-fluorophenyl]ethanone (PubChem CID 164718794) has the molecular formula C17H16BrFN4O and a molecular weight of 391.24 g/mol. Its IUPAC name is 1-[2-[5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-1-yl]-5-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-[5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-1-yl]-5-fluorophenyl]ethanone
PubChem CID164718794
Molecular FormulaC17H16BrFN4O
Molecular Weight391.24 g/mol
Exact Mass390.05
IUPAC Name1-[2-[5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-1-yl]-5-fluorophenyl]ethanone
SMILESCCn1ncc(Cc2cncn2-c2ccc(F)cc2C(C)=O)c1Br
InChIInChI=1S/C17H16BrFN4O/c1-3-23-17(18)12(8-21-23)6-14-9-20-10-22(14)16-5-4-13(19)7-15(16)11(2)24/h4-5,7-10H,3,6H2,1-2H3
InChIKeyKJCKRHKEQXJEAA-UHFFFAOYSA-N
XLogP3.78
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.24
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-[5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-1-yl]-5-fluorophenyl]ethanone 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

[(7R)-7-methyl-4-[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 24964574
Cyclopropyl(2,4,8,9-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaen-5-yl)methanone
CID 45486833
3-(4-fluorophenyl)-N-[3-(1-imidazolyl)propyl]-1-phenyl-4-pyrazolecarboxamide
CID 2999040
[2-(5-Fluoro-4-methylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 67116623
[2-(4,5-Dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone
CID 67117239
N-(2-((2,2-difluoroethyl)(4,6-dimethylpyrimidin-2-yl)amino)ethyl)-N-ethyl-2-(2H-1,2,3-triazol-2-yl)benzamide
CID 121416886
N-(2-((4,6-dimethylpyrimidin-2-yl)(methyl)amino)ethyl)-N-ethyl-4-fluoro-2-(2H-1,2,3-triazol-2-yl)benzamide
CID 121427019
US11597728, Example 168
CID 168058564
N-(3-imidazol-1-ylpropyl)-1,3-diphenylpyrazole-4-carboxamide
CID 2999655
US10239838, Example 41
CID 121413993
N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide
CID 121416898
N-(2-((4,6-dimethylpyrimidin-2-yl)(ethyl)amino)ethyl)-N-ethyl-2-(2H-H-1,2,3-triazol-2-yl)benzamide
CID 121416909

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-1-yl]-5-fluorophenyl]ethanone?
The IUPAC name of 1-[2-[5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-1-yl]-5-fluorophenyl]ethanone (CID 164718794) is 1-[2-[5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-1-yl]-5-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-[5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-1-yl]-5-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-[5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-1-yl]-5-fluorophenyl]ethanone is CCn1ncc(Cc2cncn2-c2ccc(F)cc2C(C)=O)c1Br.
What is the InChIKey of 1-[2-[5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-1-yl]-5-fluorophenyl]ethanone?
The InChIKey is KJCKRHKEQXJEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN4O/c1-3-23-17(18)12(8-21-23)6-14-9-20-10-22(14)16-5-4-13(19)7-15(16)11(2)24/h4-5,7-10H,3,6H2,1-2H3.
What are the key properties of 1-[2-[5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-1-yl]-5-fluorophenyl]ethanone?
1-[2-[5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-1-yl]-5-fluorophenyl]ethanone has a molecular weight of 391.24 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-1-yl]-5-fluorophenyl]ethanone is sourced from PubChem (CID 164718794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).