N-(4-bromo-2-methylphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C20H17BrFN3O — CID 24595456

IUPACN-(4-bromo-2-methylphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2
InChIInChI=1S/C20H17BrFN3O/c1-12-11-13(21)5-10-17(12)23-20(26)19-16-3-2-4-18(16)25(24-19)15-8-6-14(22)7-9-15/h5-11H,2-4H2,1H3,(H,23,26)
InChIKeyYIFDMDIZOZUIHQ-UHFFFAOYSA-N
MW414.28 g/mol
LogP4.82
Rot. Bonds3

About N-(4-bromo-2-methylphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

N-(4-bromo-2-methylphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 24595456) has the molecular formula C20H17BrFN3O and a molecular weight of 414.28 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID24595456
Molecular FormulaC20H17BrFN3O
Molecular Weight414.28 g/mol
Exact Mass413.05
IUPAC NameN-(4-bromo-2-methylphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2
InChIInChI=1S/C20H17BrFN3O/c1-12-11-13(21)5-10-17(12)23-20(26)19-16-3-2-4-18(16)25(24-19)15-8-6-14(22)7-9-15/h5-11H,2-4H2,1H3,(H,23,26)
InChIKeyYIFDMDIZOZUIHQ-UHFFFAOYSA-N
XLogP4.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.28
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 24608440
N-(2-bromo-4-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 16581206
N-(4-fluoro-2-methylphenyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 24586962
N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26017080
N-(3-bromophenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 16581187
N-(2,6-dimethylphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 17442022
1-(4-fluorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 47017376
N-(2-chloro-4-fluorophenyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 25490165
N-(3-fluorophenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 25400778
N-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 24593066
1-(4-fluorophenyl)-N-[2-(2-methoxyethoxy)-4-methylphenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 47063298
1-(4-fluorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 166192581

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 24595456) is N-(4-bromo-2-methylphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is Cc1cc(Br)ccc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is YIFDMDIZOZUIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrFN3O/c1-12-11-13(21)5-10-17(12)23-20(26)19-16-3-2-4-18(16)25(24-19)15-8-6-14(22)7-9-15/h5-11H,2-4H2,1H3,(H,23,26).
What are the key properties of N-(4-bromo-2-methylphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
N-(4-bromo-2-methylphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 414.28 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 24595456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).