tert-butyl 4-[2-[2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-3-oxo-1H-pyrazol-4-yl]ethyl]piperidine-1-carboxylate;2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-(2-piperidin-4-ylethyl)-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-phenyl-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one

C114H109Cl5F4N22O7 — CID 167669458

IUPACtert-butyl 4-[2-[2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-3-oxo-1H-pyrazol-4-yl]ethyl]piperidine-1-carboxylate;2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-(2-piperidin-4-ylethyl)-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-phenyl-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one
SMILESCC(C)(C)OC(=O)N1CCC(CCc2c(C3CC3)[nH]n(-c3nc4ccc(Cl)cc4[nH]3)c2=O)CC1.O=c1c(CCC2CCNCC2)c(C2CC2)[nH]n1-c1nc2ccc(Cl)cc2[nH]1.O=c1c(CCc2ccc(F)cc2)c(-c2ccc(F)cc2)[nH]n1-c1nc2ccc(Cl)cc2[nH]1.O=c1c(CCc2ccc(F)cc2)c(-c2ccccc2)[nH]n1-c1nc2ccc(Cl)cc2[nH]1.O=c1c(CCc2ccc(F)cc2)c(C2CC2)[nH]n1-c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C25H32ClN5O3.C24H17ClF2N4O.C24H18ClFN4O.C21H18ClFN4O.C20H24ClN5O/c1-25(2,3)34-24(33)30-12-10-15(11-13-30)4-8-18-21(16-5-6-16)29-31(22(18)32)23-27-19-9-7-17(26)14-20(19)28-23;25-16-6-12-20-21(13-16)29-24(28-20)31-23(32)19(11-3-14-1-7-17(26)8-2-14)22(30-31)15-4-9-18(27)10-5-15;25-17-9-13-20-21(14-17)28-24(27-20)30-23(31)19(12-8-15-6-10-18(26)11-7-15)22(29-30)16-4-2-1-3-5-16;22-14-6-10-17-18(11-14)25-21(24-17)27-20(28)16(19(26-27)13-4-5-13)9-3-12-1-7-15(23)8-2-12;21-14-4-6-16-17(11-14)24-20(23-16)26-19(27)15(18(25-26)13-2-3-13)5-1-12-7-9-22-10-8-12/h7,9,14-16,29H,4-6,8,10-13H2,1-3H3,(H,27,28);1-2,4-10,12-13,30H,3,11H2,(H,28,29);1-7,9-11,13-14,29H,8,12H2,(H,27,28);1-2,6-8,10-11,13,26H,3-5,9H2,(H,24,25);4,6,11-13,22,25H,1-3,5,7-10H2,(H,23,24)
InChIKeyZYMNPVQDZWQMCI-UHFFFAOYSA-N
MW2152.53 g/mol
LogP23.87
Rot. Bonds25

About tert-butyl 4-[2-[2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-3-oxo-1H-pyrazol-4-yl]ethyl]piperidine-1-carboxylate;2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-(2-piperidin-4-ylethyl)-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-phenyl-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one

tert-butyl 4-[2-[2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-3-oxo-1H-pyrazol-4-yl]ethyl]piperidine-1-carboxylate;2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-(2-piperidin-4-ylethyl)-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-phenyl-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one (PubChem CID 167669458) has the molecular formula C114H109Cl5F4N22O7 and a molecular weight of 2152.53 g/mol. Its IUPAC name is tert-butyl 4-[2-[2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-3-oxo-1H-pyrazol-4-yl]ethyl]piperidine-1-carboxylate;2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-(2-piperidin-4-ylethyl)-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-phenyl-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one.

Molecular Properties

Compound Nametert-butyl 4-[2-[2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-3-oxo-1H-pyrazol-4-yl]ethyl]piperidine-1-carboxylate;2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-(2-piperidin-4-ylethyl)-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-phenyl-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one
PubChem CID167669458
Molecular FormulaC114H109Cl5F4N22O7
Molecular Weight2152.53 g/mol
Exact Mass2148.72
IUPAC Nametert-butyl 4-[2-[2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-3-oxo-1H-pyrazol-4-yl]ethyl]piperidine-1-carboxylate;2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-(2-piperidin-4-ylethyl)-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-phenyl-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one
SMILESCC(C)(C)OC(=O)N1CCC(CCc2c(C3CC3)[nH]n(-c3nc4ccc(Cl)cc4[nH]3)c2=O)CC1.O=c1c(CCC2CCNCC2)c(C2CC2)[nH]n1-c1nc2ccc(Cl)cc2[nH]1.O=c1c(CCc2ccc(F)cc2)c(-c2ccc(F)cc2)[nH]n1-c1nc2ccc(Cl)cc2[nH]1.O=c1c(CCc2ccc(F)cc2)c(-c2ccccc2)[nH]n1-c1nc2ccc(Cl)cc2[nH]1.O=c1c(CCc2ccc(F)cc2)c(C2CC2)[nH]n1-c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C25H32ClN5O3.C24H17ClF2N4O.C24H18ClFN4O.C21H18ClFN4O.C20H24ClN5O/c1-25(2,3)34-24(33)30-12-10-15(11-13-30)4-8-18-21(16-5-6-16)29-31(22(18)32)23-27-19-9-7-17(26)14-20(19)28-23;25-16-6-12-20-21(13-16)29-24(28-20)31-23(32)19(11-3-14-1-7-17(26)8-2-14)22(30-31)15-4-9-18(27)10-5-15;25-17-9-13-20-21(14-17)28-24(27-20)30-23(31)19(12-8-15-6-10-18(26)11-7-15)22(29-30)16-4-2-1-3-5-16;22-14-6-10-17-18(11-14)25-21(24-17)27-20(28)16(19(26-27)13-4-5-13)9-3-12-1-7-15(23)8-2-12;21-14-4-6-16-17(11-14)24-20(23-16)26-19(27)15(18(25-26)13-2-3-13)5-1-12-7-9-22-10-8-12/h7,9,14-16,29H,4-6,8,10-13H2,1-3H3,(H,27,28);1-2,4-10,12-13,30H,3,11H2,(H,28,29);1-7,9-11,13-14,29H,8,12H2,(H,27,28);1-2,6-8,10-11,13,26H,3-5,9H2,(H,24,25);4,6,11-13,22,25H,1-3,5,7-10H2,(H,23,24)
InChIKeyZYMNPVQDZWQMCI-UHFFFAOYSA-N
XLogP23.87
TPSA373.92 Ų
H-Bond Donors11
H-Bond Acceptors18
Rotatable Bonds25
Heavy Atoms152
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002152.53
LogP ≤ 523.87
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1018

Analyze tert-butyl 4-[2-[2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-3-oxo-1H-pyrazol-4-yl]ethyl]piperidine-1-carboxylate;2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-(2-piperidin-4-ylethyl)-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-phenyl-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one with MolForge

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Related Compounds

tert-butyl 4-[2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate
CID 146569104
4-[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]-1-methylpyridin-2-one;benzyl 4-[[2-(1H-benzimidazol-2-yl)-3-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]piperidine-1-carboxylate;benzyl 4-[2-(4-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate
CID 167543271
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-(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-(1-methylpiperidin-4-yl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1H-pyrazol-3-one;tert-butyl 4-[2-(1H-benzimidazol-2-yl)-4-[(3,4-difluorophenyl)methyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate;tert-butyl 3-[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate
CID 167582108
5-(1-acetylpiperidin-4-yl)-2-(1H-benzimidazol-2-yl)-4-[(3,4-difluorophenyl)methyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(morpholin-4-ylmethyl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;tert-butyl N-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]carbamate
CID 167612195
4-[(1-acetylpiperidin-3-yl)methyl]-2-(1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-1H-pyrazol-3-one;3-[[2-(1H-benzimidazol-2-yl)-5-cyclopropyl-3-oxo-1H-pyrazol-4-yl]methyl]-N,N-dimethylpiperidine-1-carboxamide;2-(1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]piperidin-4-yl]ethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-4-[[1-(2-hydroxy-2-methylpropanoyl)piperidin-3-yl]methyl]-1H-pyrazol-3-one
CID 167701747
tert-butyl 4-[2-[2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-3-oxo-1H-pyrazol-4-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-(4-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate;tert-butyl 4-[2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate;tert-butyl 4-[2-[2-(6-chloro-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)-3-oxo-1H-pyrazol-4-yl]ethyl]piperidine-1-carboxylate
CID 167561370
2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-5-piperidin-4-yl-1H-pyrazol-3-one;propan-2-yl 4-[2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate
CID 167569246
2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]ethyl]-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-(2-piperidin-4-ylethyl)-1H-pyrazol-3-one
CID 167577104
5-(1-acetylpiperidin-4-yl)-2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-1H-pyrazol-3-one;5-(1-acetylpiperidin-4-yl)-2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(triazol-2-yl)ethyl]-1H-pyrazol-3-one;methyl 4-[2-(6-chloro-1H-benzimidazol-2-yl)-3-oxo-4-[2-(triazol-2-yl)ethyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate;propan-2-yl 4-[2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate
CID 167620530
5-(1-acetylpiperidin-4-yl)-2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one;4-[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]-N,N-dimethylpiperidine-1-sulfonamide;tert-butyl 4-[2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate
CID 167623912

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-3-oxo-1H-pyrazol-4-yl]ethyl]piperidine-1-carboxylate;2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-(2-piperidin-4-ylethyl)-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-phenyl-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one?
The IUPAC name of tert-butyl 4-[2-[2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-3-oxo-1H-pyrazol-4-yl]ethyl]piperidine-1-carboxylate;2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-(2-piperidin-4-ylethyl)-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-phenyl-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one (CID 167669458) is tert-butyl 4-[2-[2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-3-oxo-1H-pyrazol-4-yl]ethyl]piperidine-1-carboxylate;2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-(2-piperidin-4-ylethyl)-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-phenyl-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one.
What is the SMILES notation for tert-butyl 4-[2-[2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-3-oxo-1H-pyrazol-4-yl]ethyl]piperidine-1-carboxylate;2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-(2-piperidin-4-ylethyl)-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-phenyl-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one?
The canonical SMILES for tert-butyl 4-[2-[2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-3-oxo-1H-pyrazol-4-yl]ethyl]piperidine-1-carboxylate;2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-(2-piperidin-4-ylethyl)-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-phenyl-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one is CC(C)(C)OC(=O)N1CCC(CCc2c(C3CC3)[nH]n(-c3nc4ccc(Cl)cc4[nH]3)c2=O)CC1.O=c1c(CCC2CCNCC2)c(C2CC2)[nH]n1-c1nc2ccc(Cl)cc2[nH]1.O=c1c(CCc2ccc(F)cc2)c(-c2ccc(F)cc2)[nH]n1-c1nc2ccc(Cl)cc2[nH]1.O=c1c(CCc2ccc(F)cc2)c(-c2ccccc2)[nH]n1-c1nc2ccc(Cl)cc2[nH]1.O=c1c(CCc2ccc(F)cc2)c(C2CC2)[nH]n1-c1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of tert-butyl 4-[2-[2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-3-oxo-1H-pyrazol-4-yl]ethyl]piperidine-1-carboxylate;2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-(2-piperidin-4-ylethyl)-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-phenyl-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one?
The InChIKey is ZYMNPVQDZWQMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN5O3.C24H17ClF2N4O.C24H18ClFN4O.C21H18ClFN4O.C20H24ClN5O/c1-25(2,3)34-24(33)30-12-10-15(11-13-30)4-8-18-21(16-5-6-16)29-31(22(18)32)23-27-19-9-7-17(26)14-20(19)28-23;25-16-6-12-20-21(13-16)29-24(28-20)31-23(32)19(11-3-14-1-7-17(26)8-2-14)22(30-31)15-4-9-18(27)10-5-15;25-17-9-13-20-21(14-17)28-24(27-20)30-23(31)19(12-8-15-6-10-18(26)11-7-15)22(29-30)16-4-2-1-3-5-16;22-14-6-10-17-18(11-14)25-21(24-17)27-20(28)16(19(26-27)13-4-5-13)9-3-12-1-7-15(23)8-2-12;21-14-4-6-16-17(11-14)24-20(23-16)26-19(27)15(18(25-26)13-2-3-13)5-1-12-7-9-22-10-8-12/h7,9,14-16,29H,4-6,8,10-13H2,1-3H3,(H,27,28);1-2,4-10,12-13,30H,3,11H2,(H,28,29);1-7,9-11,13-14,29H,8,12H2,(H,27,28);1-2,6-8,10-11,13,26H,3-5,9H2,(H,24,25);4,6,11-13,22,25H,1-3,5,7-10H2,(H,23,24).
What are the key properties of tert-butyl 4-[2-[2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-3-oxo-1H-pyrazol-4-yl]ethyl]piperidine-1-carboxylate;2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-(2-piperidin-4-ylethyl)-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-phenyl-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one?
tert-butyl 4-[2-[2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-3-oxo-1H-pyrazol-4-yl]ethyl]piperidine-1-carboxylate;2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-(2-piperidin-4-ylethyl)-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-phenyl-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one has a molecular weight of 2152.53 g/mol, XLogP of 23.87, 25 rotatable bonds, 11 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-3-oxo-1H-pyrazol-4-yl]ethyl]piperidine-1-carboxylate;2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-(2-piperidin-4-ylethyl)-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-phenyl-1H-pyrazol-3-one;2-(6-chloro-1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one is sourced from PubChem (CID 167669458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).