[3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(2,3-dichlorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;5-[2-[3-[(5-fluoro-6-methyl-2-pyridinyl)oxymethyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]pyrazine-2-carbonitrile;[3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]-[3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]methanone

C130H129Cl3F5N25O12 — CID 159086416

IUPAC[3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(2,3-dichlorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;5-[2-[3-[(5-fluoro-6-methyl-2-pyridinyl)oxymethyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]pyrazine-2-carbonitrile;[3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]-[3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]methanone
SMILESCc1ccc(OCC23CC(C(=O)N4N=CCC4c4ccc(F)c(C)n4)(C2)C3)nc1.Cc1ccc(OCC23CC(C(=O)N4N=CCC4c4ccccc4C)(C2)C3)nc1.Cc1cnc(OCC23CC(C(=O)N4N=CCC4c4ccc(C(F)(F)F)cc4)(C2)C3)cn1.Cc1cnc(OCC23CC(C(=O)N4N=CCC4c4ccc(Cl)cc4)(C2)C3)cn1.Cc1cnc(OCC23CC(C(=O)N4N=CCC4c4cccc(Cl)c4Cl)(C2)C3)cn1.Cc1nc(OCC23CC(C(=O)N4N=CCC4c4cnc(C#N)cn4)(C2)C3)ccc1F
InChIInChI=1S/C23H25N3O2.C22H21F3N4O2.C22H23FN4O2.C21H20Cl2N4O2.C21H21ClN4O2.C21H19FN6O2/c1-16-7-8-20(24-11-16)28-15-22-12-23(13-22,14-22)21(27)26-19(9-10-25-26)18-6-4-3-5-17(18)2;1-14-8-27-18(9-26-14)31-13-20-10-21(11-20,12-20)19(30)29-17(6-7-28-29)15-2-4-16(5-3-15)22(23,24)25;1-14-3-6-19(24-9-14)29-13-21-10-22(11-21,12-21)20(28)27-18(7-8-25-27)17-5-4-16(23)15(2)26-17;1-13-7-25-17(8-24-13)29-12-20-9-21(10-20,11-20)19(28)27-16(5-6-26-27)14-3-2-4-15(22)18(14)23;1-14-8-24-18(9-23-14)28-13-20-10-21(11-20,12-20)19(27)26-17(6-7-25-26)15-2-4-16(22)5-3-15;1-13-15(22)2-3-18(27-13)30-12-20-9-21(10-20,11-20)19(29)28-17(4-5-26-28)16-8-24-14(6-23)7-25-16/h3-8,10-11,19H,9,12-15H2,1-2H3;2-5,7-9,17H,6,10-13H2,1H3;3-6,8-9,18H,7,10-13H2,1-2H3;2-4,6-8,16H,5,9-12H2,1H3;2-5,7-9,17H,6,10-13H2,1H3;2-3,5,7-8,17H,4,9-12H2,1H3
InChIKeyKBMNWUZZEUWNAA-UHFFFAOYSA-N
MW2434.97 g/mol
LogP23.51
Rot. Bonds30

About [3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(2,3-dichlorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;5-[2-[3-[(5-fluoro-6-methyl-2-pyridinyl)oxymethyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]pyrazine-2-carbonitrile;[3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]-[3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]methanone

[3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(2,3-dichlorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;5-[2-[3-[(5-fluoro-6-methyl-2-pyridinyl)oxymethyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]pyrazine-2-carbonitrile;[3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]-[3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]methanone (PubChem CID 159086416) has the molecular formula C130H129Cl3F5N25O12 and a molecular weight of 2434.97 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(2,3-dichlorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;5-[2-[3-[(5-fluoro-6-methyl-2-pyridinyl)oxymethyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]pyrazine-2-carbonitrile;[3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]-[3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]methanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(2,3-dichlorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;5-[2-[3-[(5-fluoro-6-methyl-2-pyridinyl)oxymethyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]pyrazine-2-carbonitrile;[3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]-[3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]methanone
PubChem CID159086416
Molecular FormulaC130H129Cl3F5N25O12
Molecular Weight2434.97 g/mol
Exact Mass2431.92
IUPAC Name[3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(2,3-dichlorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;5-[2-[3-[(5-fluoro-6-methyl-2-pyridinyl)oxymethyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]pyrazine-2-carbonitrile;[3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]-[3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]methanone
SMILESCc1ccc(OCC23CC(C(=O)N4N=CCC4c4ccc(F)c(C)n4)(C2)C3)nc1.Cc1ccc(OCC23CC(C(=O)N4N=CCC4c4ccccc4C)(C2)C3)nc1.Cc1cnc(OCC23CC(C(=O)N4N=CCC4c4ccc(C(F)(F)F)cc4)(C2)C3)cn1.Cc1cnc(OCC23CC(C(=O)N4N=CCC4c4ccc(Cl)cc4)(C2)C3)cn1.Cc1cnc(OCC23CC(C(=O)N4N=CCC4c4cccc(Cl)c4Cl)(C2)C3)cn1.Cc1nc(OCC23CC(C(=O)N4N=CCC4c4cnc(C#N)cn4)(C2)C3)ccc1F
InChIInChI=1S/C23H25N3O2.C22H21F3N4O2.C22H23FN4O2.C21H20Cl2N4O2.C21H21ClN4O2.C21H19FN6O2/c1-16-7-8-20(24-11-16)28-15-22-12-23(13-22,14-22)21(27)26-19(9-10-25-26)18-6-4-3-5-17(18)2;1-14-8-27-18(9-26-14)31-13-20-10-21(11-20,12-20)19(30)29-17(6-7-28-29)15-2-4-16(5-3-15)22(23,24)25;1-14-3-6-19(24-9-14)29-13-21-10-22(11-21,12-21)20(28)27-18(7-8-25-27)17-5-4-16(23)15(2)26-17;1-13-7-25-17(8-24-13)29-12-20-9-21(10-20,11-20)19(28)27-16(5-6-26-27)14-3-2-4-15(22)18(14)23;1-14-8-24-18(9-23-14)28-13-20-10-21(11-20,12-20)19(27)26-17(6-7-25-26)15-2-4-16(22)5-3-15;1-13-15(22)2-3-18(27-13)30-12-20-9-21(10-20,11-20)19(29)28-17(4-5-26-28)16-8-24-14(6-23)7-25-16/h3-8,10-11,19H,9,12-15H2,1-2H3;2-5,7-9,17H,6,10-13H2,1H3;3-6,8-9,18H,7,10-13H2,1-2H3;2-4,6-8,16H,5,9-12H2,1H3;2-5,7-9,17H,6,10-13H2,1H3;2-3,5,7-8,17H,4,9-12H2,1H3
InChIKeyKBMNWUZZEUWNAA-UHFFFAOYSA-N
XLogP23.51
TPSA429.87 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds30
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002434.97
LogP ≤ 523.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze [3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(2,3-dichlorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;5-[2-[3-[(5-fluoro-6-methyl-2-pyridinyl)oxymethyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]pyrazine-2-carbonitrile;[3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]-[3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(2,3-dichlorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;5-[2-[3-[(5-fluoro-6-methyl-2-pyridinyl)oxymethyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]pyrazine-2-carbonitrile;[3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]-[3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]methanone?
The IUPAC name of [3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(2,3-dichlorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;5-[2-[3-[(5-fluoro-6-methyl-2-pyridinyl)oxymethyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]pyrazine-2-carbonitrile;[3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]-[3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]methanone (CID 159086416) is [3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(2,3-dichlorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;5-[2-[3-[(5-fluoro-6-methyl-2-pyridinyl)oxymethyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]pyrazine-2-carbonitrile;[3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]-[3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]methanone.
What is the SMILES notation for [3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(2,3-dichlorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;5-[2-[3-[(5-fluoro-6-methyl-2-pyridinyl)oxymethyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]pyrazine-2-carbonitrile;[3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]-[3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]methanone?
The canonical SMILES for [3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(2,3-dichlorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;5-[2-[3-[(5-fluoro-6-methyl-2-pyridinyl)oxymethyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]pyrazine-2-carbonitrile;[3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]-[3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]methanone is Cc1ccc(OCC23CC(C(=O)N4N=CCC4c4ccc(F)c(C)n4)(C2)C3)nc1.Cc1ccc(OCC23CC(C(=O)N4N=CCC4c4ccccc4C)(C2)C3)nc1.Cc1cnc(OCC23CC(C(=O)N4N=CCC4c4ccc(C(F)(F)F)cc4)(C2)C3)cn1.Cc1cnc(OCC23CC(C(=O)N4N=CCC4c4ccc(Cl)cc4)(C2)C3)cn1.Cc1cnc(OCC23CC(C(=O)N4N=CCC4c4cccc(Cl)c4Cl)(C2)C3)cn1.Cc1nc(OCC23CC(C(=O)N4N=CCC4c4cnc(C#N)cn4)(C2)C3)ccc1F.
What is the InChIKey of [3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(2,3-dichlorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;5-[2-[3-[(5-fluoro-6-methyl-2-pyridinyl)oxymethyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]pyrazine-2-carbonitrile;[3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]-[3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]methanone?
The InChIKey is KBMNWUZZEUWNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2.C22H21F3N4O2.C22H23FN4O2.C21H20Cl2N4O2.C21H21ClN4O2.C21H19FN6O2/c1-16-7-8-20(24-11-16)28-15-22-12-23(13-22,14-22)21(27)26-19(9-10-25-26)18-6-4-3-5-17(18)2;1-14-8-27-18(9-26-14)31-13-20-10-21(11-20,12-20)19(30)29-17(6-7-28-29)15-2-4-16(5-3-15)22(23,24)25;1-14-3-6-19(24-9-14)29-13-21-10-22(11-21,12-21)20(28)27-18(7-8-25-27)17-5-4-16(23)15(2)26-17;1-13-7-25-17(8-24-13)29-12-20-9-21(10-20,11-20)19(28)27-16(5-6-26-27)14-3-2-4-15(22)18(14)23;1-14-8-24-18(9-23-14)28-13-20-10-21(11-20,12-20)19(27)26-17(6-7-25-26)15-2-4-16(22)5-3-15;1-13-15(22)2-3-18(27-13)30-12-20-9-21(10-20,11-20)19(29)28-17(4-5-26-28)16-8-24-14(6-23)7-25-16/h3-8,10-11,19H,9,12-15H2,1-2H3;2-5,7-9,17H,6,10-13H2,1H3;3-6,8-9,18H,7,10-13H2,1-2H3;2-4,6-8,16H,5,9-12H2,1H3;2-5,7-9,17H,6,10-13H2,1H3;2-3,5,7-8,17H,4,9-12H2,1H3.
What are the key properties of [3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(2,3-dichlorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;5-[2-[3-[(5-fluoro-6-methyl-2-pyridinyl)oxymethyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]pyrazine-2-carbonitrile;[3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]-[3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]methanone?
[3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(2,3-dichlorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;5-[2-[3-[(5-fluoro-6-methyl-2-pyridinyl)oxymethyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]pyrazine-2-carbonitrile;[3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]-[3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]methanone has a molecular weight of 2434.97 g/mol, XLogP of 23.51, 30 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(2,3-dichlorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;5-[2-[3-[(5-fluoro-6-methyl-2-pyridinyl)oxymethyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]pyrazine-2-carbonitrile;[3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]-[3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]methanone is sourced from PubChem (CID 159086416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).