[3-[(3-chloroindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone;2-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methyl]indazole-7-carbonitrile;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(3-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;3-[2-[3-(indazol-1-ylmethyl)bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;3-[2-[3-[(4-methylpyrazol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;[3-[(4-methylpyrazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone

C136H124ClF6N27O6 — CID 157251008

About [3-[(3-chloroindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone;2-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methyl]indazole-7-carbonitrile;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(3-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;3-[2-[3-(indazol-1-ylmethyl)bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;3-[2-[3-[(4-methylpyrazol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;[3-[(4-methylpyrazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone

[3-[(3-chloroindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone;2-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methyl]indazole-7-carbonitrile;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(3-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;3-[2-[3-(indazol-1-ylmethyl)bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;3-[2-[3-[(4-methylpyrazol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;[3-[(4-methylpyrazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone (PubChem CID 157251008) has the molecular formula C136H124ClF6N27O6 and a molecular weight of 2382.11 g/mol. Its IUPAC name is [3-[(3-chloroindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone;2-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methyl]indazole-7-carbonitrile;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(3-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;3-[2-[3-(indazol-1-ylmethyl)bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;3-[2-[3-[(4-methylpyrazol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;[3-[(4-methylpyrazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone.

Molecular Properties

• Compound Name: [3-[(3-chloroindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone;2-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methyl]indazole-7-carbonitrile;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(3-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;3-[2-[3-(indazol-1-ylmethyl)bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;3-[2-[3-[(4-methylpyrazol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;[3-[(4-methylpyrazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
• PubChem CID: 157251008
• Molecular Formula: C136H124ClF6N27O6
• Molecular Weight: 2382.11 g/mol
• Exact Mass: 2379.98
• IUPAC Name: [3-[(3-chloroindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone;2-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methyl]indazole-7-carbonitrile;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(3-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;3-[2-[3-(indazol-1-ylmethyl)bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;3-[2-[3-[(4-methylpyrazol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;[3-[(4-methylpyrazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
• SMILES: Cc1cnn(CC23CC(C(=O)N4N=CCC4c4cccc(C#N)c4)(C2)C3)c1.Cc1cnn(CC23CC(C(=O)N4N=CCC4c4ccccc4)(C2)C3)c1.Cc1nn(CC23CC(C(=O)N4N=CCC4c4cc(F)cc(F)c4)(C2)C3)c2ccccc12.N#Cc1cccc(C2CC=NN2C(=O)C23CC(Cn4ncc5ccccc54)(C2)C3)c1.N#Cc1cccc2cn(CC34CC(C(=O)N5N=CCC5c5cc(F)cc(F)c5)(C3)C4)nc12.O=C(N1N=CCC1c1cc(F)cc(F)c1)C12CC(Cn3nc4ccccc4c3Cl)(C1)C2
• InChI: InChI=1S/C24H19F2N5O.C24H22F2N4O.C24H21N5O.C23H19ClF2N4O.C21H21N5O.C20H22N4O/c25-18-6-17(7-19(26)8-18)20-4-5-28-31(20)22(32)24-11-23(12-24,13-24)14-30-10-16-3-1-2-15(9-27)21(16)29-30;1-15-19-4-2-3-5-21(19)29(28-15)14-23-11-24(12-23,13-23)22(31)30-20(6-7-27-30)16-8-17(25)10-18(26)9-16;25-11-17-4-3-6-18(10-17)21-8-9-26-29(21)22(30)24-13-23(14-24,15-24)16-28-20-7-2-1-5-19(20)12-27-28;24-20-17-3-1-2-4-18(17)28-29(20)13-22-10-23(11-22,12-22)21(31)30-19(5-6-27-30)14-7-15(25)9-16(26)8-14;1-15-9-24-25(10-15)14-20-11-21(12-20,13-20)19(27)26-18(5-6-23-26)17-4-2-3-16(7-17)8-22;1-15-9-22-23(10-15)14-19-11-20(12-19,13-19)18(25)24-17(7-8-21-24)16-5-3-2-4-6-16/h1-3,5-8,10,20H,4,11-14H2;2-5,7-10,20H,6,11-14H2,1H3;1-7,9-10,12,21H,8,13-16H2;1-4,6-9,19H,5,10-13H2;2-4,6-7,9-10,18H,5,11-14H2,1H3;2-6,8-10,17H,7,11-14H2,1H3
• InChIKey: AWIOUWMVOHRPBS-UHFFFAOYSA-N
• XLogP: 24.72
• TPSA: 374.31 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 24
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2382.11
LogP ≤ 5	24.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of [3-[(3-chloroindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone;2-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methyl]indazole-7-carbonitrile;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(3-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;3-[2-[3-(indazol-1-ylmethyl)bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;3-[2-[3-[(4-methylpyrazol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;[3-[(4-methylpyrazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?

The IUPAC name of [3-[(3-chloroindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone;2-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methyl]indazole-7-carbonitrile;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(3-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;3-[2-[3-(indazol-1-ylmethyl)bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;3-[2-[3-[(4-methylpyrazol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;[3-[(4-methylpyrazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone (CID 157251008) is [3-[(3-chloroindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone;2-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methyl]indazole-7-carbonitrile;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(3-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;3-[2-[3-(indazol-1-ylmethyl)bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;3-[2-[3-[(4-methylpyrazol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;[3-[(4-methylpyrazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone.

What is the SMILES notation for [3-[(3-chloroindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone;2-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methyl]indazole-7-carbonitrile;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(3-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;3-[2-[3-(indazol-1-ylmethyl)bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;3-[2-[3-[(4-methylpyrazol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;[3-[(4-methylpyrazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?

The canonical SMILES for [3-[(3-chloroindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone;2-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methyl]indazole-7-carbonitrile;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(3-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;3-[2-[3-(indazol-1-ylmethyl)bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;3-[2-[3-[(4-methylpyrazol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;[3-[(4-methylpyrazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone is Cc1cnn(CC23CC(C(=O)N4N=CCC4c4cccc(C#N)c4)(C2)C3)c1.Cc1cnn(CC23CC(C(=O)N4N=CCC4c4ccccc4)(C2)C3)c1.Cc1nn(CC23CC(C(=O)N4N=CCC4c4cc(F)cc(F)c4)(C2)C3)c2ccccc12.N#Cc1cccc(C2CC=NN2C(=O)C23CC(Cn4ncc5ccccc54)(C2)C3)c1.N#Cc1cccc2cn(CC34CC(C(=O)N5N=CCC5c5cc(F)cc(F)c5)(C3)C4)nc12.O=C(N1N=CCC1c1cc(F)cc(F)c1)C12CC(Cn3nc4ccccc4c3Cl)(C1)C2.

What is the InChIKey of [3-[(3-chloroindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone;2-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methyl]indazole-7-carbonitrile;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(3-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;3-[2-[3-(indazol-1-ylmethyl)bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;3-[2-[3-[(4-methylpyrazol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;[3-[(4-methylpyrazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?

The InChIKey is AWIOUWMVOHRPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N5O.C24H22F2N4O.C24H21N5O.C23H19ClF2N4O.C21H21N5O.C20H22N4O/c25-18-6-17(7-19(26)8-18)20-4-5-28-31(20)22(32)24-11-23(12-24,13-24)14-30-10-16-3-1-2-15(9-27)21(16)29-30;1-15-19-4-2-3-5-21(19)29(28-15)14-23-11-24(12-23,13-23)22(31)30-20(6-7-27-30)16-8-17(25)10-18(26)9-16;25-11-17-4-3-6-18(10-17)21-8-9-26-29(21)22(30)24-13-23(14-24,15-24)16-28-20-7-2-1-5-19(20)12-27-28;24-20-17-3-1-2-4-18(17)28-29(20)13-22-10-23(11-22,12-22)21(31)30-19(5-6-27-30)14-7-15(25)9-16(26)8-14;1-15-9-24-25(10-15)14-20-11-21(12-20,13-20)19(27)26-18(5-6-23-26)17-4-2-3-16(7-17)8-22;1-15-9-22-23(10-15)14-19-11-20(12-19,13-19)18(25)24-17(7-8-21-24)16-5-3-2-4-6-16/h1-3,5-8,10,20H,4,11-14H2;2-5,7-10,20H,6,11-14H2,1H3;1-7,9-10,12,21H,8,13-16H2;1-4,6-9,19H,5,10-13H2;2-4,6-7,9-10,18H,5,11-14H2,1H3;2-6,8-10,17H,7,11-14H2,1H3.

What are the key properties of [3-[(3-chloroindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone;2-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methyl]indazole-7-carbonitrile;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(3-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;3-[2-[3-(indazol-1-ylmethyl)bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;3-[2-[3-[(4-methylpyrazol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;[3-[(4-methylpyrazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?

[3-[(3-chloroindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone;2-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methyl]indazole-7-carbonitrile;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(3-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;3-[2-[3-(indazol-1-ylmethyl)bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;3-[2-[3-[(4-methylpyrazol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;[3-[(4-methylpyrazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone has a molecular weight of 2382.11 g/mol, XLogP of 24.72, 24 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[(3-chloroindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone;2-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methyl]indazole-7-carbonitrile;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(3-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;3-[2-[3-(indazol-1-ylmethyl)bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;3-[2-[3-[(4-methylpyrazol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;[3-[(4-methylpyrazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone is sourced from PubChem (CID 157251008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).