2-(3-chloro-4-fluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(2,4-difluoro-5-methylphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(2,5-difluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;ethane;3-methyl-2-(2,3,4-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole

C76H90ClF11N10 — CID 159712019

About 2-(3-chloro-4-fluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(2,4-difluoro-5-methylphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(2,5-difluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;ethane;3-methyl-2-(2,3,4-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole

2-(3-chloro-4-fluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(2,4-difluoro-5-methylphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(2,5-difluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;ethane;3-methyl-2-(2,3,4-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole (PubChem CID 159712019) has the molecular formula C76H90ClF11N10 and a molecular weight of 1388.06 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(2,4-difluoro-5-methylphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(2,5-difluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;ethane;3-methyl-2-(2,3,4-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole.

Molecular Properties

• Compound Name: 2-(3-chloro-4-fluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(2,4-difluoro-5-methylphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(2,5-difluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;ethane;3-methyl-2-(2,3,4-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
• PubChem CID: 159712019
• Molecular Formula: C76H90ClF11N10
• Molecular Weight: 1388.06 g/mol
• Exact Mass: 1386.69
• IUPAC Name: 2-(3-chloro-4-fluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(2,4-difluoro-5-methylphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(2,5-difluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;ethane;3-methyl-2-(2,3,4-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
• SMILES: CC.CC.CC.CC.CC.Cc1c(-c2cc(F)c(F)cc2F)nn2c1CCC2.Cc1c(-c2cc(F)ccc2F)nn2c1CCC2.Cc1c(-c2ccc(F)c(Cl)c2)nn2c1CCC2.Cc1c(-c2ccc(F)c(F)c2F)nn2c1CCC2.Cc1cc(-c2nn3c(c2C)CCC3)c(F)cc1F
• InChI: InChI=1S/C14H14F2N2.C13H12ClFN2.2C13H11F3N2.C13H12F2N2.5C2H6/c1-8-6-10(12(16)7-11(8)15)14-9(2)13-4-3-5-18(13)17-14;1-8-12-3-2-6-17(12)16-13(8)9-4-5-11(15)10(14)7-9;1-7-10-3-2-6-18(10)17-13(7)8-4-5-9(14)12(16)11(8)15;1-7-12-3-2-4-18(12)17-13(7)8-5-10(15)11(16)6-9(8)14;1-8-12-3-2-6-17(12)16-13(8)10-7-9(14)4-5-11(10)15;5*1-2/h6-7H,3-5H2,1-2H3;4-5,7H,2-3,6H2,1H3;4-5H,2-3,6H2,1H3;5-6H,2-4H2,1H3;4-5,7H,2-3,6H2,1H3;5*1-2H3
• InChIKey: MYYPEQDASANNPY-UHFFFAOYSA-N
• XLogP: 21.65
• TPSA: 89.10 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1388.06
LogP ≤ 5	21.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(2,4-difluoro-5-methylphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(2,5-difluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;ethane;3-methyl-2-(2,3,4-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?

The IUPAC name of 2-(3-chloro-4-fluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(2,4-difluoro-5-methylphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(2,5-difluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;ethane;3-methyl-2-(2,3,4-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole (CID 159712019) is 2-(3-chloro-4-fluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(2,4-difluoro-5-methylphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(2,5-difluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;ethane;3-methyl-2-(2,3,4-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole.

What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(2,4-difluoro-5-methylphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(2,5-difluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;ethane;3-methyl-2-(2,3,4-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?

The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(2,4-difluoro-5-methylphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(2,5-difluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;ethane;3-methyl-2-(2,3,4-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole is CC.CC.CC.CC.CC.Cc1c(-c2cc(F)c(F)cc2F)nn2c1CCC2.Cc1c(-c2cc(F)ccc2F)nn2c1CCC2.Cc1c(-c2ccc(F)c(Cl)c2)nn2c1CCC2.Cc1c(-c2ccc(F)c(F)c2F)nn2c1CCC2.Cc1cc(-c2nn3c(c2C)CCC3)c(F)cc1F.

What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(2,4-difluoro-5-methylphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(2,5-difluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;ethane;3-methyl-2-(2,3,4-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?

The InChIKey is MYYPEQDASANNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2.C13H12ClFN2.2C13H11F3N2.C13H12F2N2.5C2H6/c1-8-6-10(12(16)7-11(8)15)14-9(2)13-4-3-5-18(13)17-14;1-8-12-3-2-6-17(12)16-13(8)9-4-5-11(15)10(14)7-9;1-7-10-3-2-6-18(10)17-13(7)8-4-5-9(14)12(16)11(8)15;1-7-12-3-2-4-18(12)17-13(7)8-5-10(15)11(16)6-9(8)14;1-8-12-3-2-6-17(12)16-13(8)10-7-9(14)4-5-11(10)15;5*1-2/h6-7H,3-5H2,1-2H3;4-5,7H,2-3,6H2,1H3;4-5H,2-3,6H2,1H3;5-6H,2-4H2,1H3;4-5,7H,2-3,6H2,1H3;5*1-2H3.

What are the key properties of 2-(3-chloro-4-fluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(2,4-difluoro-5-methylphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(2,5-difluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;ethane;3-methyl-2-(2,3,4-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?

2-(3-chloro-4-fluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(2,4-difluoro-5-methylphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(2,5-difluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;ethane;3-methyl-2-(2,3,4-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole has a molecular weight of 1388.06 g/mol, XLogP of 21.65, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chloro-4-fluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(2,4-difluoro-5-methylphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(2,5-difluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;ethane;3-methyl-2-(2,3,4-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole is sourced from PubChem (CID 159712019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).