5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-1H-pyrazol-3-one;ethyl 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazole-5-carboxylate;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-5-(3-methylsulfonylphenyl)-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-1H-pyrazol-3-one

C95H86F4N16O10S2 — CID 167536091

IUPAC5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-1H-pyrazol-3-one;ethyl 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazole-5-carboxylate;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-5-(3-methylsulfonylphenyl)-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-1H-pyrazol-3-one
SMILESCCOC(=O)c1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1CCc1ccc(F)cc1.Cn1c(-n2[nH]c(-c3ccc(S(C)(=O)=O)cc3)c(CCc3ccc(F)cc3)c2=O)nc2ccccc21.Cn1c(-n2[nH]c(-c3cccc(S(C)(=O)=O)c3)c(CCc3ccc(F)cc3)c2=O)nc2ccccc21.Cn1c(-n2[nH]c(C3CC3)c(CCc3ccc(F)cc3)c2=O)nc2ccccc21
InChIInChI=1S/2C26H23FN4O3S.C22H21FN4O.C21H19FN4O3/c1-30-23-9-4-3-8-22(23)28-26(30)31-25(32)21(15-12-17-10-13-19(27)14-11-17)24(29-31)18-6-5-7-20(16-18)35(2,33)34;1-30-23-6-4-3-5-22(23)28-26(30)31-25(32)21(16-9-17-7-12-19(27)13-8-17)24(29-31)18-10-14-20(15-11-18)35(2,33)34;1-26-19-5-3-2-4-18(19)24-22(26)27-21(28)17(20(25-27)15-9-10-15)13-8-14-6-11-16(23)12-7-14;1-2-29-20(28)18-15(12-9-13-7-10-14(22)11-8-13)19(27)26(25-18)21-23-16-5-3-4-6-17(16)24-21/h3-11,13-14,16,29H,12,15H2,1-2H3;3-8,10-15,29H,9,16H2,1-2H3;2-7,11-12,15,25H,8-10,13H2,1H3;3-8,10-11,25H,2,9,12H2,1H3,(H,23,24)
InChIKeyUEHVCBPIJUVGHT-UHFFFAOYSA-N
MW1751.96 g/mol
LogP15.09
Rot. Bonds23

About 5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-1H-pyrazol-3-one;ethyl 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazole-5-carboxylate;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-5-(3-methylsulfonylphenyl)-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-1H-pyrazol-3-one

5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-1H-pyrazol-3-one;ethyl 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazole-5-carboxylate;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-5-(3-methylsulfonylphenyl)-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-1H-pyrazol-3-one (PubChem CID 167536091) has the molecular formula C95H86F4N16O10S2 and a molecular weight of 1751.96 g/mol. Its IUPAC name is 5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-1H-pyrazol-3-one;ethyl 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazole-5-carboxylate;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-5-(3-methylsulfonylphenyl)-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-1H-pyrazol-3-one;ethyl 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazole-5-carboxylate;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-5-(3-methylsulfonylphenyl)-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-1H-pyrazol-3-one
PubChem CID167536091
Molecular FormulaC95H86F4N16O10S2
Molecular Weight1751.96 g/mol
Exact Mass1750.61
IUPAC Name5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-1H-pyrazol-3-one;ethyl 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazole-5-carboxylate;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-5-(3-methylsulfonylphenyl)-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-1H-pyrazol-3-one
SMILESCCOC(=O)c1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1CCc1ccc(F)cc1.Cn1c(-n2[nH]c(-c3ccc(S(C)(=O)=O)cc3)c(CCc3ccc(F)cc3)c2=O)nc2ccccc21.Cn1c(-n2[nH]c(-c3cccc(S(C)(=O)=O)c3)c(CCc3ccc(F)cc3)c2=O)nc2ccccc21.Cn1c(-n2[nH]c(C3CC3)c(CCc3ccc(F)cc3)c2=O)nc2ccccc21
InChIInChI=1S/2C26H23FN4O3S.C22H21FN4O.C21H19FN4O3/c1-30-23-9-4-3-8-22(23)28-26(30)31-25(32)21(15-12-17-10-13-19(27)14-11-17)24(29-31)18-6-5-7-20(16-18)35(2,33)34;1-30-23-6-4-3-5-22(23)28-26(30)31-25(32)21(16-9-17-7-12-19(27)13-8-17)24(29-31)18-10-14-20(15-11-18)35(2,33)34;1-26-19-5-3-2-4-18(19)24-22(26)27-21(28)17(20(25-27)15-9-10-15)13-8-14-6-11-16(23)12-7-14;1-2-29-20(28)18-15(12-9-13-7-10-14(22)11-8-13)19(27)26(25-18)21-23-16-5-3-4-6-17(16)24-21/h3-11,13-14,16,29H,12,15H2,1-2H3;3-8,10-15,29H,9,16H2,1-2H3;2-7,11-12,15,25H,8-10,13H2,1H3;3-8,10-11,25H,2,9,12H2,1H3,(H,23,24)
InChIKeyUEHVCBPIJUVGHT-UHFFFAOYSA-N
XLogP15.09
TPSA327.88 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds23
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001751.96
LogP ≤ 515.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Analyze 5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-1H-pyrazol-3-one;ethyl 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazole-5-carboxylate;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-5-(3-methylsulfonylphenyl)-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-1H-pyrazol-3-one with MolForge

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Related Compounds

2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(4-methylsulfonylphenyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(2-pyridin-4-ylethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-one
CID 167676938
2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(4-methylsulfonylphenyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(piperidine-1-carbonyl)-1H-pyrazol-3-one;tert-butyl 4-[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]benzoate;tert-butyl 4-[2-[2-(1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-3-oxo-1H-pyrazol-4-yl]ethyl]piperidine-1-carboxylate
CID 167651127

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-1H-pyrazol-3-one;ethyl 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazole-5-carboxylate;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-5-(3-methylsulfonylphenyl)-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-1H-pyrazol-3-one?
The IUPAC name of 5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-1H-pyrazol-3-one;ethyl 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazole-5-carboxylate;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-5-(3-methylsulfonylphenyl)-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-1H-pyrazol-3-one (CID 167536091) is 5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-1H-pyrazol-3-one;ethyl 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazole-5-carboxylate;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-5-(3-methylsulfonylphenyl)-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-1H-pyrazol-3-one.
What is the SMILES notation for 5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-1H-pyrazol-3-one;ethyl 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazole-5-carboxylate;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-5-(3-methylsulfonylphenyl)-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-1H-pyrazol-3-one?
The canonical SMILES for 5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-1H-pyrazol-3-one;ethyl 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazole-5-carboxylate;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-5-(3-methylsulfonylphenyl)-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-1H-pyrazol-3-one is CCOC(=O)c1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1CCc1ccc(F)cc1.Cn1c(-n2[nH]c(-c3ccc(S(C)(=O)=O)cc3)c(CCc3ccc(F)cc3)c2=O)nc2ccccc21.Cn1c(-n2[nH]c(-c3cccc(S(C)(=O)=O)c3)c(CCc3ccc(F)cc3)c2=O)nc2ccccc21.Cn1c(-n2[nH]c(C3CC3)c(CCc3ccc(F)cc3)c2=O)nc2ccccc21.
What is the InChIKey of 5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-1H-pyrazol-3-one;ethyl 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazole-5-carboxylate;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-5-(3-methylsulfonylphenyl)-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-1H-pyrazol-3-one?
The InChIKey is UEHVCBPIJUVGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H23FN4O3S.C22H21FN4O.C21H19FN4O3/c1-30-23-9-4-3-8-22(23)28-26(30)31-25(32)21(15-12-17-10-13-19(27)14-11-17)24(29-31)18-6-5-7-20(16-18)35(2,33)34;1-30-23-6-4-3-5-22(23)28-26(30)31-25(32)21(16-9-17-7-12-19(27)13-8-17)24(29-31)18-10-14-20(15-11-18)35(2,33)34;1-26-19-5-3-2-4-18(19)24-22(26)27-21(28)17(20(25-27)15-9-10-15)13-8-14-6-11-16(23)12-7-14;1-2-29-20(28)18-15(12-9-13-7-10-14(22)11-8-13)19(27)26(25-18)21-23-16-5-3-4-6-17(16)24-21/h3-11,13-14,16,29H,12,15H2,1-2H3;3-8,10-15,29H,9,16H2,1-2H3;2-7,11-12,15,25H,8-10,13H2,1H3;3-8,10-11,25H,2,9,12H2,1H3,(H,23,24).
What are the key properties of 5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-1H-pyrazol-3-one;ethyl 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazole-5-carboxylate;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-5-(3-methylsulfonylphenyl)-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-1H-pyrazol-3-one?
5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-1H-pyrazol-3-one;ethyl 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazole-5-carboxylate;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-5-(3-methylsulfonylphenyl)-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-1H-pyrazol-3-one has a molecular weight of 1751.96 g/mol, XLogP of 15.09, 23 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-1H-pyrazol-3-one;ethyl 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazole-5-carboxylate;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-5-(3-methylsulfonylphenyl)-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-1H-pyrazol-3-one is sourced from PubChem (CID 167536091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).