N-[1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide

C25H23F6N5O4S — CID 129030793

IUPACN-[1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide
SMILESCC(NC(=O)c1c(C(F)(F)F)nn2c1N(Cc1cccc(C(F)(F)F)c1)CC2)c1ccc(C(=O)NS(C)(=O)=O)cc1
InChIInChI=1S/C25H23F6N5O4S/c1-14(16-6-8-17(9-7-16)21(37)34-41(2,39)40)32-22(38)19-20(25(29,30)31)33-36-11-10-35(23(19)36)13-15-4-3-5-18(12-15)24(26,27)28/h3-9,12,14H,10-11,13H2,1-2H3,(H,32,38)(H,34,37)
InChIKeyFGAHPKTWBLOGGV-UHFFFAOYSA-N
MW603.55 g/mol
LogP4.12
Rot. Bonds7

About N-[1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide

N-[1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide (PubChem CID 129030793) has the molecular formula C25H23F6N5O4S and a molecular weight of 603.55 g/mol. Its IUPAC name is N-[1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide
PubChem CID129030793
Molecular FormulaC25H23F6N5O4S
Molecular Weight603.55 g/mol
Exact Mass603.14
IUPAC NameN-[1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide
SMILESCC(NC(=O)c1c(C(F)(F)F)nn2c1N(Cc1cccc(C(F)(F)F)c1)CC2)c1ccc(C(=O)NS(C)(=O)=O)cc1
InChIInChI=1S/C25H23F6N5O4S/c1-14(16-6-8-17(9-7-16)21(37)34-41(2,39)40)32-22(38)19-20(25(29,30)31)33-36-11-10-35(23(19)36)13-15-4-3-5-18(12-15)24(26,27)28/h3-9,12,14H,10-11,13H2,1-2H3,(H,32,38)(H,34,37)
InChIKeyFGAHPKTWBLOGGV-UHFFFAOYSA-N
XLogP4.12
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500603.55
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide with MolForge

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Related Compounds

2-[4-[(1S)-1-[[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[1,2-b]pyrazole-7-carbonyl]amino]ethyl]phenyl]acetic acid
CID 129030693
4-[(1S)-1-[[1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[1,2-b]pyrazole-7-carbonyl]amino]ethyl]benzoic acid
CID 129030839
4-[(1S)-1-[[1-[[3-(3-fluoropropyl)-5-(trifluoromethyl)phenyl]methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[1,2-b]pyrazole-7-carbonyl]amino]ethyl]benzoic acid
CID 129030913
N-(2-(2-((4-fluorobenzyl)amino)-2-oxoethyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 30862815
N-(2-(2-((4-fluorobenzyl)amino)-2-oxoethyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-3,4-dimethylbenzamide
CID 30862856
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-6,6-dimethyl-3-[[4-(trifluoromethyl)benzoyl]amino]-1,4-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide
CID 58015684
2-fluoro-4-[(1S)-1-[[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[1,2-b]pyrazole-7-carbonyl]amino]ethyl]benzoic acid
CID 129030660
2-Fluoro-4-[1-[[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[1,2-b]pyrazole-7-carbonyl]amino]ethyl]benzoic acid
CID 129030663
4-[(1S)-1-[[1-[[3-(fluoromethyl)phenyl]methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[1,2-b]pyrazole-7-carbonyl]amino]ethyl]benzoic acid
CID 129030669
4-[1-[[1-[[3-(Fluoromethyl)phenyl]methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid
CID 129030670
4-[(1S)-1-[[6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[1,2-b]pyrazole-7-carbonyl]amino]ethyl]benzoic acid
CID 129030677
4-[(1S)-1-[[1-benzyl-6-(trifluoromethyl)-2,3-dihydroimidazo[1,2-b]pyrazole-7-carbonyl]amino]ethyl]benzoic acid
CID 129030678

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide?
The IUPAC name of N-[1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide (CID 129030793) is N-[1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide.
What is the SMILES notation for N-[1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide?
The canonical SMILES for N-[1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide is CC(NC(=O)c1c(C(F)(F)F)nn2c1N(Cc1cccc(C(F)(F)F)c1)CC2)c1ccc(C(=O)NS(C)(=O)=O)cc1.
What is the InChIKey of N-[1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide?
The InChIKey is FGAHPKTWBLOGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F6N5O4S/c1-14(16-6-8-17(9-7-16)21(37)34-41(2,39)40)32-22(38)19-20(25(29,30)31)33-36-11-10-35(23(19)36)13-15-4-3-5-18(12-15)24(26,27)28/h3-9,12,14H,10-11,13H2,1-2H3,(H,32,38)(H,34,37).
What are the key properties of N-[1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide?
N-[1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide has a molecular weight of 603.55 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide is sourced from PubChem (CID 129030793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).