1-(4-fluorophenyl)-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C23H20F4N4O3 — CID 25492258

IUPAC1-(4-fluorophenyl)-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2
InChIInChI=1S/C23H20F4N4O3/c1-30(13-20(32)28-15-7-11-17(12-8-15)34-23(25,26)27)22(33)21-18-3-2-4-19(18)31(29-21)16-9-5-14(24)6-10-16/h5-12H,2-4,13H2,1H3,(H,28,32)
InChIKeyWQZVYSUUYHMZGM-UHFFFAOYSA-N
MW476.43 g/mol
LogP4.11
Rot. Bonds6

About 1-(4-fluorophenyl)-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

1-(4-fluorophenyl)-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 25492258) has the molecular formula C23H20F4N4O3 and a molecular weight of 476.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID25492258
Molecular FormulaC23H20F4N4O3
Molecular Weight476.43 g/mol
Exact Mass476.15
IUPAC Name1-(4-fluorophenyl)-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2
InChIInChI=1S/C23H20F4N4O3/c1-30(13-20(32)28-15-7-11-17(12-8-15)34-23(25,26)27)22(33)21-18-3-2-4-19(18)31(29-21)16-9-5-14(24)6-10-16/h5-12H,2-4,13H2,1H3,(H,28,32)
InChIKeyWQZVYSUUYHMZGM-UHFFFAOYSA-N
XLogP4.11
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.43
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-methylamino]acetic acid
CID 119172389
N-[2-(3-ethynylanilino)-2-oxoethyl]-1-(4-fluorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55810911
1-(3,4-difluorophenyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55774718
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 46694303
[2-(4-ethoxyanilino)-2-oxoethyl] 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate
CID 16581145
2-[ethyl-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]acetic acid
CID 119206416
N-[4-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 41191360
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 30859959
N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-1H-indazole-3-carboxamide
CID 9070389
1-(4-fluorophenyl)-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 30806385
N-[2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24545266
2-fluoro-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
CID 8781656

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 25492258) is 1-(4-fluorophenyl)-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2.
What is the InChIKey of 1-(4-fluorophenyl)-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is WQZVYSUUYHMZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F4N4O3/c1-30(13-20(32)28-15-7-11-17(12-8-15)34-23(25,26)27)22(33)21-18-3-2-4-19(18)31(29-21)16-9-5-14(24)6-10-16/h5-12H,2-4,13H2,1H3,(H,28,32).
What are the key properties of 1-(4-fluorophenyl)-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
1-(4-fluorophenyl)-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 476.43 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 25492258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).