2-(5-chloro-2-fluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(2,4-difluoro-3-methylphenyl)-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;2-(4-fluoro-3-methylphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;[4-methyl-3-(3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)phenyl]methanol

C95H121ClF8N12O — CID 159450969

About 2-(5-chloro-2-fluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(2,4-difluoro-3-methylphenyl)-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;2-(4-fluoro-3-methylphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;[4-methyl-3-(3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)phenyl]methanol

2-(5-chloro-2-fluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(2,4-difluoro-3-methylphenyl)-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;2-(4-fluoro-3-methylphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;[4-methyl-3-(3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)phenyl]methanol (PubChem CID 159450969) has the molecular formula C95H121ClF8N12O and a molecular weight of 1634.53 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(2,4-difluoro-3-methylphenyl)-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;2-(4-fluoro-3-methylphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;[4-methyl-3-(3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)phenyl]methanol.

Molecular Properties

• Compound Name: 2-(5-chloro-2-fluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(2,4-difluoro-3-methylphenyl)-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;2-(4-fluoro-3-methylphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;[4-methyl-3-(3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)phenyl]methanol
• PubChem CID: 159450969
• Molecular Formula: C95H121ClF8N12O
• Molecular Weight: 1634.53 g/mol
• Exact Mass: 1632.93
• IUPAC Name: 2-(5-chloro-2-fluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(2,4-difluoro-3-methylphenyl)-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;2-(4-fluoro-3-methylphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;[4-methyl-3-(3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)phenyl]methanol
• SMILES: CC.CC.CC.CC.CC.CC.Cc1c(-c2cc(Cl)ccc2F)nn2c1CCC2.Cc1c(-c2cc(F)ccc2F)nn2c1CCC2.Cc1c(F)ccc(-c2nn3c(c2C)CCC3)c1F.Cc1cc(-c2nn3c(c2C)CCC3)c(F)cc1F.Cc1cc(-c2nn3c(c2C)CCC3)ccc1F.Cc1ccc(CO)cc1-c1nn2c(c1C)CCC2
• InChI: InChI=1S/C15H18N2O.2C14H14F2N2.C14H15FN2.C13H12ClFN2.C13H12F2N2.6C2H6/c1-10-5-6-12(9-18)8-13(10)15-11(2)14-4-3-7-17(14)16-15;1-8-11(15)6-5-10(13(8)16)14-9(2)12-4-3-7-18(12)17-14;1-8-6-10(12(16)7-11(8)15)14-9(2)13-4-3-5-18(13)17-14;1-9-8-11(5-6-12(9)15)14-10(2)13-4-3-7-17(13)16-14;2*1-8-12-3-2-6-17(12)16-13(8)10-7-9(14)4-5-11(10)15;6*1-2/h5-6,8,18H,3-4,7,9H2,1-2H3;5-6H,3-4,7H2,1-2H3;6-7H,3-5H2,1-2H3;5-6,8H,3-4,7H2,1-2H3;2*4-5,7H,2-3,6H2,1H3;6*1-2H3
• InChIKey: LTJHVHNAQKUOHL-UHFFFAOYSA-N
• XLogP: 25.48
• TPSA: 127.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1634.53
LogP ≤ 5	25.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(2,4-difluoro-3-methylphenyl)-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;2-(4-fluoro-3-methylphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;[4-methyl-3-(3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)phenyl]methanol?

The IUPAC name of 2-(5-chloro-2-fluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(2,4-difluoro-3-methylphenyl)-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;2-(4-fluoro-3-methylphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;[4-methyl-3-(3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)phenyl]methanol (CID 159450969) is 2-(5-chloro-2-fluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(2,4-difluoro-3-methylphenyl)-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;2-(4-fluoro-3-methylphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;[4-methyl-3-(3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)phenyl]methanol.

What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(2,4-difluoro-3-methylphenyl)-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;2-(4-fluoro-3-methylphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;[4-methyl-3-(3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)phenyl]methanol?

The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(2,4-difluoro-3-methylphenyl)-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;2-(4-fluoro-3-methylphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;[4-methyl-3-(3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)phenyl]methanol is CC.CC.CC.CC.CC.CC.Cc1c(-c2cc(Cl)ccc2F)nn2c1CCC2.Cc1c(-c2cc(F)ccc2F)nn2c1CCC2.Cc1c(F)ccc(-c2nn3c(c2C)CCC3)c1F.Cc1cc(-c2nn3c(c2C)CCC3)c(F)cc1F.Cc1cc(-c2nn3c(c2C)CCC3)ccc1F.Cc1ccc(CO)cc1-c1nn2c(c1C)CCC2.

What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(2,4-difluoro-3-methylphenyl)-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;2-(4-fluoro-3-methylphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;[4-methyl-3-(3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)phenyl]methanol?

The InChIKey is LTJHVHNAQKUOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O.2C14H14F2N2.C14H15FN2.C13H12ClFN2.C13H12F2N2.6C2H6/c1-10-5-6-12(9-18)8-13(10)15-11(2)14-4-3-7-17(14)16-15;1-8-11(15)6-5-10(13(8)16)14-9(2)12-4-3-7-18(12)17-14;1-8-6-10(12(16)7-11(8)15)14-9(2)13-4-3-5-18(13)17-14;1-9-8-11(5-6-12(9)15)14-10(2)13-4-3-7-17(13)16-14;2*1-8-12-3-2-6-17(12)16-13(8)10-7-9(14)4-5-11(10)15;6*1-2/h5-6,8,18H,3-4,7,9H2,1-2H3;5-6H,3-4,7H2,1-2H3;6-7H,3-5H2,1-2H3;5-6,8H,3-4,7H2,1-2H3;2*4-5,7H,2-3,6H2,1H3;6*1-2H3.

What are the key properties of 2-(5-chloro-2-fluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(2,4-difluoro-3-methylphenyl)-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;2-(4-fluoro-3-methylphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;[4-methyl-3-(3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)phenyl]methanol?

2-(5-chloro-2-fluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(2,4-difluoro-3-methylphenyl)-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;2-(4-fluoro-3-methylphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;[4-methyl-3-(3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)phenyl]methanol has a molecular weight of 1634.53 g/mol, XLogP of 25.48, 7 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-chloro-2-fluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(2,4-difluoro-3-methylphenyl)-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;2-(4-fluoro-3-methylphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;[4-methyl-3-(3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)phenyl]methanol is sourced from PubChem (CID 159450969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).