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

C27H25F6N5O4S — CID 129030823

IUPACN-[1-[4-(cyclopropylsulfonylcarbamoyl)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(=O)(=O)C2CC2)cc1
InChIInChI=1S/C27H25F6N5O4S/c1-15(17-5-7-18(8-6-17)23(39)36-43(41,42)20-9-10-20)34-24(40)21-22(27(31,32)33)35-38-12-11-37(25(21)38)14-16-3-2-4-19(13-16)26(28,29)30/h2-8,13,15,20H,9-12,14H2,1H3,(H,34,40)(H,36,39)
InChIKeyZPGSEUYIAIQFOP-UHFFFAOYSA-N
MW629.58 g/mol
LogP4.65
Rot. Bonds8

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

N-[1-[4-(cyclopropylsulfonylcarbamoyl)phenyl]ethyl]-6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide (PubChem CID 129030823) has the molecular formula C27H25F6N5O4S and a molecular weight of 629.58 g/mol. Its IUPAC name is N-[1-[4-(cyclopropylsulfonylcarbamoyl)phenyl]ethyl]-6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(cyclopropylsulfonylcarbamoyl)phenyl]ethyl]-6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide
PubChem CID129030823
Molecular FormulaC27H25F6N5O4S
Molecular Weight629.58 g/mol
Exact Mass629.15
IUPAC NameN-[1-[4-(cyclopropylsulfonylcarbamoyl)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(=O)(=O)C2CC2)cc1
InChIInChI=1S/C27H25F6N5O4S/c1-15(17-5-7-18(8-6-17)23(39)36-43(41,42)20-9-10-20)34-24(40)21-22(27(31,32)33)35-38-12-11-37(25(21)38)14-16-3-2-4-19(13-16)26(28,29)30/h2-8,13,15,20H,9-12,14H2,1H3,(H,34,40)(H,36,39)
InChIKeyZPGSEUYIAIQFOP-UHFFFAOYSA-N
XLogP4.65
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500629.58
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-[4-(cyclopropylsulfonylcarbamoyl)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

N-[1-[4-(cyclopropylsulfanylcarbamoyl)phenyl]ethyl]-6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide
CID 145296822
N-[1-[4-[[1-(2H-azirin-3-yl)cyclopropyl]carbamoyl]phenyl]ethyl]-6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide
CID 163585293
4-[1-[[1-[[3-(fluoromethyl)phenyl]methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid
CID 129030670
6-[1-[[6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]pyridine-3-carboxylic acid
CID 129030662
4-[1-[[6-formyl-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid
CID 129030808
methyl 4-[1-[[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate
CID 175161488
methyl 4-[(1S)-1-[[6-(difluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate
CID 129047528
methyl 4-[(1S)-1-[[1-[[3-(fluoromethyl)phenyl]methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate
CID 129047269
4-[(1S)-1-[[1-[[3-(trifluoromethoxy)phenyl]methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid
CID 129030872
4-[(1S)-1-[[1-[(3,4-dichlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid
CID 129030886
4-[(1S)-1-[[1-[[3-(3-fluoropropyl)-5-(trifluoromethyl)phenyl]methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid
CID 129030913
methyl 4-[(1S)-1-[[1-benzyl-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate
CID 129047365

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(cyclopropylsulfonylcarbamoyl)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-(cyclopropylsulfonylcarbamoyl)phenyl]ethyl]-6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide (CID 129030823) is N-[1-[4-(cyclopropylsulfonylcarbamoyl)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-(cyclopropylsulfonylcarbamoyl)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-(cyclopropylsulfonylcarbamoyl)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(=O)(=O)C2CC2)cc1.
What is the InChIKey of N-[1-[4-(cyclopropylsulfonylcarbamoyl)phenyl]ethyl]-6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide?
The InChIKey is ZPGSEUYIAIQFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F6N5O4S/c1-15(17-5-7-18(8-6-17)23(39)36-43(41,42)20-9-10-20)34-24(40)21-22(27(31,32)33)35-38-12-11-37(25(21)38)14-16-3-2-4-19(13-16)26(28,29)30/h2-8,13,15,20H,9-12,14H2,1H3,(H,34,40)(H,36,39).
What are the key properties of N-[1-[4-(cyclopropylsulfonylcarbamoyl)phenyl]ethyl]-6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide?
N-[1-[4-(cyclopropylsulfonylcarbamoyl)phenyl]ethyl]-6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide has a molecular weight of 629.58 g/mol, XLogP of 4.65, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(cyclopropylsulfonylcarbamoyl)phenyl]ethyl]-6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide is sourced from PubChem (CID 129030823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).