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

C24H24F3N3O3 — CID 55597096

IUPACN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCOCCOc1ccc(C(F)(F)F)cc1NC(=O)c1nn(-c2ccc(C)cc2)c2c1CCC2
InChIInChI=1S/C24H24F3N3O3/c1-15-6-9-17(10-7-15)30-20-5-3-4-18(20)22(29-30)23(31)28-19-14-16(24(25,26)27)8-11-21(19)33-13-12-32-2/h6-11,14H,3-5,12-13H2,1-2H3,(H,28,31)
InChIKeyYLYFSQGZDSJAFO-UHFFFAOYSA-N
MW459.47 g/mol
LogP4.97
Rot. Bonds7

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

N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 55597096) has the molecular formula C24H24F3N3O3 and a molecular weight of 459.47 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID55597096
Molecular FormulaC24H24F3N3O3
Molecular Weight459.47 g/mol
Exact Mass459.18
IUPAC NameN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCOCCOc1ccc(C(F)(F)F)cc1NC(=O)c1nn(-c2ccc(C)cc2)c2c1CCC2
InChIInChI=1S/C24H24F3N3O3/c1-15-6-9-17(10-7-15)30-20-5-3-4-18(20)22(29-30)23(31)28-19-14-16(24(25,26)27)8-11-21(19)33-13-12-32-2/h6-11,14H,3-5,12-13H2,1-2H3,(H,28,31)
InChIKeyYLYFSQGZDSJAFO-UHFFFAOYSA-N
XLogP4.97
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.47
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-N-[2-(2-methoxyethoxy)-4-methylphenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 47063298
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 29298199
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 86899900
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]isoquinoline-1-carboxamide
CID 60604524
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 17439153
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,3-diphenylpyrazole-5-carboxamide
CID 16549700
N-[2-(4-methoxyphenoxy)ethyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55598782
N-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 24608440
N-(2-amino-5-methoxyphenyl)-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 119421474
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2,6-dimethylquinoline-3-carboxamide
CID 55466432
N-(5-amino-2-methylphenyl)-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 120568710
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 26177639

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 55597096) is N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1nn(-c2ccc(C)cc2)c2c1CCC2.
What is the InChIKey of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is YLYFSQGZDSJAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O3/c1-15-6-9-17(10-7-15)30-20-5-3-4-18(20)22(29-30)23(31)28-19-14-16(24(25,26)27)8-11-21(19)33-13-12-32-2/h6-11,14H,3-5,12-13H2,1-2H3,(H,28,31).
What are the key properties of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 459.47 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 55597096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).