[3-(4-bromo-3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(2,4-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,4-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone

C97H91BrF6N16O4 — CID 158798469

About [3-(4-bromo-3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(2,4-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,4-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone

[3-(4-bromo-3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(2,4-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,4-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone (PubChem CID 158798469) has the molecular formula C97H91BrF6N16O4 and a molecular weight of 1738.79 g/mol. Its IUPAC name is [3-(4-bromo-3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(2,4-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,4-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone.

Molecular Properties

• Compound Name: [3-(4-bromo-3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(2,4-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,4-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone
• PubChem CID: 158798469
• Molecular Formula: C97H91BrF6N16O4
• Molecular Weight: 1738.79 g/mol
• Exact Mass: 1736.65
• IUPAC Name: [3-(4-bromo-3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(2,4-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,4-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone
• SMILES: Cc1ccc2c(cnn2CC23CC(C(=O)N4N=CCC4c4cc(F)c(Br)c(F)c4)(C2)C3)c1.Cc1ccc2c(cnn2CC23CC(C(=O)N4N=CCC4c4ccc(F)c(F)c4)(C2)C3)c1.Cc1ccc2c(cnn2CC23CC(C(=O)N4N=CCC4c4ccc(F)cc4F)(C2)C3)c1.Cc1cccc(C2CC=NN2C(=O)C23CC(Cn4ncc5cc(C)ccc54)(C2)C3)c1
• InChI: InChI=1S/C25H26N4O.C24H21BrF2N4O.2C24H22F2N4O/c1-17-4-3-5-19(10-17)22-8-9-26-29(22)23(30)25-13-24(14-25,15-25)16-28-21-7-6-18(2)11-20(21)12-27-28;1-14-2-3-19-16(6-14)9-29-30(19)13-23-10-24(11-23,12-23)22(32)31-20(4-5-28-31)15-7-17(26)21(25)18(27)8-15;1-15-2-5-20-16(8-15)10-28-29(20)14-23-11-24(12-23,13-23)22(31)30-21(6-7-27-30)18-4-3-17(25)9-19(18)26;1-15-2-5-20-17(8-15)10-28-29(20)14-23-11-24(12-23,13-23)22(31)30-21(6-7-27-30)16-3-4-18(25)19(26)9-16/h3-7,9-12,22H,8,13-16H2,1-2H3;2-3,5-9,20H,4,10-13H2,1H3;2*2-5,7-10,21H,6,11-14H2,1H3
• InChIKey: ITDXYFITCMJJRZ-UHFFFAOYSA-N
• XLogP: 19.80
• TPSA: 201.96 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1738.79
LogP ≤ 5	19.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-(4-bromo-3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(2,4-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,4-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone?

The IUPAC name of [3-(4-bromo-3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(2,4-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,4-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone (CID 158798469) is [3-(4-bromo-3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(2,4-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,4-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone.

What is the SMILES notation for [3-(4-bromo-3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(2,4-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,4-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone?

The canonical SMILES for [3-(4-bromo-3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(2,4-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,4-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone is Cc1ccc2c(cnn2CC23CC(C(=O)N4N=CCC4c4cc(F)c(Br)c(F)c4)(C2)C3)c1.Cc1ccc2c(cnn2CC23CC(C(=O)N4N=CCC4c4ccc(F)c(F)c4)(C2)C3)c1.Cc1ccc2c(cnn2CC23CC(C(=O)N4N=CCC4c4ccc(F)cc4F)(C2)C3)c1.Cc1cccc(C2CC=NN2C(=O)C23CC(Cn4ncc5cc(C)ccc54)(C2)C3)c1.

What is the InChIKey of [3-(4-bromo-3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(2,4-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,4-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone?

The InChIKey is ITDXYFITCMJJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O.C24H21BrF2N4O.2C24H22F2N4O/c1-17-4-3-5-19(10-17)22-8-9-26-29(22)23(30)25-13-24(14-25,15-25)16-28-21-7-6-18(2)11-20(21)12-27-28;1-14-2-3-19-16(6-14)9-29-30(19)13-23-10-24(11-23,12-23)22(32)31-20(4-5-28-31)15-7-17(26)21(25)18(27)8-15;1-15-2-5-20-16(8-15)10-28-29(20)14-23-11-24(12-23,13-23)22(31)30-21(6-7-27-30)18-4-3-17(25)9-19(18)26;1-15-2-5-20-17(8-15)10-28-29(20)14-23-11-24(12-23,13-23)22(31)30-21(6-7-27-30)16-3-4-18(25)19(26)9-16/h3-7,9-12,22H,8,13-16H2,1-2H3;2-3,5-9,20H,4,10-13H2,1H3;2*2-5,7-10,21H,6,11-14H2,1H3.

What are the key properties of [3-(4-bromo-3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(2,4-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,4-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone?

[3-(4-bromo-3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(2,4-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,4-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone has a molecular weight of 1738.79 g/mol, XLogP of 19.80, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(4-bromo-3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(2,4-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,4-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone is sourced from PubChem (CID 158798469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).