4-(1-acetylpiperidin-4-yl)-2-(1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(6-methyl-3-pyridinyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(3-methylpyrazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one

C95H83ClF10N20O6 — CID 167542958

IUPAC4-(1-acetylpiperidin-4-yl)-2-(1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(6-methyl-3-pyridinyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(3-methylpyrazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
SMILESCC(=O)N1CCC(c2c(-c3ccc(C(F)(F)F)cc3)[nH]n(-c3nc4ccccc4[nH]3)c2=O)CC1.Cc1ccc(-c2[nH]n(-c3nc4ccccc4[nH]3)c(=O)c2CCc2ccc(F)cc2)cn1.Cc1ccn(CCc2c(-c3ccc(C(F)(F)F)cc3)[nH]n(-c3nc4ccc(Cl)cc4[nH]3)c2=O)n1.O=c1c(CCC2CCOCC2)c(-c2ccc(C(F)(F)F)cc2)[nH]n1-c1nc2ccccc2[nH]1
InChIInChI=1S/C24H22F3N5O2.C24H23F3N4O2.C24H20FN5O.C23H18ClF3N6O/c1-14(33)31-12-10-15(11-13-31)20-21(16-6-8-17(9-7-16)24(25,26)27)30-32(22(20)34)23-28-18-4-2-3-5-19(18)29-23;25-24(26,27)17-8-6-16(7-9-17)21-18(10-5-15-11-13-33-14-12-15)22(32)31(30-21)23-28-19-3-1-2-4-20(19)29-23;1-15-6-10-17(14-26-15)22-19(13-9-16-7-11-18(25)12-8-16)23(31)30(29-22)24-27-20-4-2-3-5-21(20)28-24;1-13-8-10-32(30-13)11-9-17-20(14-2-4-15(5-3-14)23(25,26)27)31-33(21(17)34)22-28-18-7-6-16(24)12-19(18)29-22/h2-9,15,30H,10-13H2,1H3,(H,28,29);1-4,6-9,15,30H,5,10-14H2,(H,28,29);2-8,10-12,14,29H,9,13H2,1H3,(H,27,28);2-8,10,12,31H,9,11H2,1H3,(H,28,29)
InChIKeyMPLRFDLGYQWZJI-UHFFFAOYSA-N
MW1826.28 g/mol
LogP19.01
Rot. Bonds18

About 4-(1-acetylpiperidin-4-yl)-2-(1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(6-methyl-3-pyridinyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(3-methylpyrazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one

4-(1-acetylpiperidin-4-yl)-2-(1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(6-methyl-3-pyridinyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(3-methylpyrazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one (PubChem CID 167542958) has the molecular formula C95H83ClF10N20O6 and a molecular weight of 1826.28 g/mol. Its IUPAC name is 4-(1-acetylpiperidin-4-yl)-2-(1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(6-methyl-3-pyridinyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(3-methylpyrazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-(1-acetylpiperidin-4-yl)-2-(1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(6-methyl-3-pyridinyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(3-methylpyrazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
PubChem CID167542958
Molecular FormulaC95H83ClF10N20O6
Molecular Weight1826.28 g/mol
Exact Mass1824.63
IUPAC Name4-(1-acetylpiperidin-4-yl)-2-(1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(6-methyl-3-pyridinyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(3-methylpyrazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
SMILESCC(=O)N1CCC(c2c(-c3ccc(C(F)(F)F)cc3)[nH]n(-c3nc4ccccc4[nH]3)c2=O)CC1.Cc1ccc(-c2[nH]n(-c3nc4ccccc4[nH]3)c(=O)c2CCc2ccc(F)cc2)cn1.Cc1ccn(CCc2c(-c3ccc(C(F)(F)F)cc3)[nH]n(-c3nc4ccc(Cl)cc4[nH]3)c2=O)n1.O=c1c(CCC2CCOCC2)c(-c2ccc(C(F)(F)F)cc2)[nH]n1-c1nc2ccccc2[nH]1
InChIInChI=1S/C24H22F3N5O2.C24H23F3N4O2.C24H20FN5O.C23H18ClF3N6O/c1-14(33)31-12-10-15(11-13-31)20-21(16-6-8-17(9-7-16)24(25,26)27)30-32(22(20)34)23-28-18-4-2-3-5-19(18)29-23;25-24(26,27)17-8-6-16(7-9-17)21-18(10-5-15-11-13-33-14-12-15)22(32)31(30-21)23-28-19-3-1-2-4-20(19)29-23;1-15-6-10-17(14-26-15)22-19(13-9-16-7-11-18(25)12-8-16)23(31)30(29-22)24-27-20-4-2-3-5-21(20)28-24;1-13-8-10-32(30-13)11-9-17-20(14-2-4-15(5-3-14)23(25,26)27)31-33(21(17)34)22-28-18-7-6-16(24)12-19(18)29-22/h2-9,15,30H,10-13H2,1H3,(H,28,29);1-4,6-9,15,30H,5,10-14H2,(H,28,29);2-8,10-12,14,29H,9,13H2,1H3,(H,27,28);2-8,10,12,31H,9,11H2,1H3,(H,28,29)
InChIKeyMPLRFDLGYQWZJI-UHFFFAOYSA-N
XLogP19.01
TPSA326.13 Ų
H-Bond Donors8
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001826.28
LogP ≤ 519.01
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1017

Analyze 4-(1-acetylpiperidin-4-yl)-2-(1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(6-methyl-3-pyridinyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(3-methylpyrazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one with MolForge

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Related Compounds

4-[(1-acetylpiperidin-4-yl)methyl]-2-(1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(oxan-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-3-one;tert-butyl 4-[2-(4-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate
CID 167548988
2-(1H-benzimidazol-2-yl)-5-cyclopropyl-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one;2-(6-fluoro-1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-4-(oxan-4-ylmethyl)-1H-pyrazol-3-one;3-(4-fluorophenyl)-4-[2-(oxan-4-yl)ethyl]-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazol-5-amine;3-(4-fluorophenyl)-4-(2-phenylethyl)-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazole
CID 167558973
2-(1H-benzimidazol-2-yl)-5-(4-chlorophenyl)-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(4-methylphenyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-pyrazin-2-yl-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
CID 167570949
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;2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one
CID 167592530
2-(1H-benzimidazol-2-yl)-4-[2-(4-chloropyrazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(2-methylimidazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(triazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;benzyl 4-[2-(1H-benzimidazol-2-yl)-3-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]piperidine-1-carboxylate
CID 167624682
2-(1H-benzimidazol-2-yl)-5-(5-bromo-3-pyridinyl)-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[(3,4-difluorophenyl)methyl]-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-piperidin-3-yl-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
CID 167632416
2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[3-(4-fluorophenyl)propyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-pyridin-3-yl-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-(oxan-2-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
CID 167640889
2-(1H-benzimidazol-2-yl)-5-tert-butyl-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-cyclobutyl-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(oxolan-2-yl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(3-methylpyrazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
CID 167642995
2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(2-methoxyethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
CID 167649193
2-(1H-benzimidazol-2-yl)-4-[2-(3-chloro-4-fluorophenyl)ethyl]-5-pyrazin-2-yl-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(oxan-4-yl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-pyridin-4-yl-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-prop-2-enyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
CID 167681126
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dichlorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridin-2-amine;2,6-difluoro-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
CID 159184971
N-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N,N-dimethyl-3H-benzimidazole-5-carboxamide;2,6-difluoro-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-[(dimethylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide
CID 162251910

Frequently Asked Questions

What is the IUPAC name of 4-(1-acetylpiperidin-4-yl)-2-(1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(6-methyl-3-pyridinyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(3-methylpyrazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one?
The IUPAC name of 4-(1-acetylpiperidin-4-yl)-2-(1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(6-methyl-3-pyridinyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(3-methylpyrazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one (CID 167542958) is 4-(1-acetylpiperidin-4-yl)-2-(1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(6-methyl-3-pyridinyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(3-methylpyrazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one.
What is the SMILES notation for 4-(1-acetylpiperidin-4-yl)-2-(1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(6-methyl-3-pyridinyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(3-methylpyrazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one?
The canonical SMILES for 4-(1-acetylpiperidin-4-yl)-2-(1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(6-methyl-3-pyridinyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(3-methylpyrazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one is CC(=O)N1CCC(c2c(-c3ccc(C(F)(F)F)cc3)[nH]n(-c3nc4ccccc4[nH]3)c2=O)CC1.Cc1ccc(-c2[nH]n(-c3nc4ccccc4[nH]3)c(=O)c2CCc2ccc(F)cc2)cn1.Cc1ccn(CCc2c(-c3ccc(C(F)(F)F)cc3)[nH]n(-c3nc4ccc(Cl)cc4[nH]3)c2=O)n1.O=c1c(CCC2CCOCC2)c(-c2ccc(C(F)(F)F)cc2)[nH]n1-c1nc2ccccc2[nH]1.
What is the InChIKey of 4-(1-acetylpiperidin-4-yl)-2-(1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(6-methyl-3-pyridinyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(3-methylpyrazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one?
The InChIKey is MPLRFDLGYQWZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O2.C24H23F3N4O2.C24H20FN5O.C23H18ClF3N6O/c1-14(33)31-12-10-15(11-13-31)20-21(16-6-8-17(9-7-16)24(25,26)27)30-32(22(20)34)23-28-18-4-2-3-5-19(18)29-23;25-24(26,27)17-8-6-16(7-9-17)21-18(10-5-15-11-13-33-14-12-15)22(32)31(30-21)23-28-19-3-1-2-4-20(19)29-23;1-15-6-10-17(14-26-15)22-19(13-9-16-7-11-18(25)12-8-16)23(31)30(29-22)24-27-20-4-2-3-5-21(20)28-24;1-13-8-10-32(30-13)11-9-17-20(14-2-4-15(5-3-14)23(25,26)27)31-33(21(17)34)22-28-18-7-6-16(24)12-19(18)29-22/h2-9,15,30H,10-13H2,1H3,(H,28,29);1-4,6-9,15,30H,5,10-14H2,(H,28,29);2-8,10-12,14,29H,9,13H2,1H3,(H,27,28);2-8,10,12,31H,9,11H2,1H3,(H,28,29).
What are the key properties of 4-(1-acetylpiperidin-4-yl)-2-(1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(6-methyl-3-pyridinyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(3-methylpyrazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one?
4-(1-acetylpiperidin-4-yl)-2-(1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(6-methyl-3-pyridinyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(3-methylpyrazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one has a molecular weight of 1826.28 g/mol, XLogP of 19.01, 18 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-acetylpiperidin-4-yl)-2-(1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(6-methyl-3-pyridinyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(3-methylpyrazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one is sourced from PubChem (CID 167542958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).