ethane;2-(4-fluoro-3-methylphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(4-fluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(3-methoxyphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-(3-methylphenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole

C79H103F5N10O — CID 158365319

About ethane;2-(4-fluoro-3-methylphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(4-fluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(3-methoxyphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-(3-methylphenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-[3-(trifluoromethyl)phenyl]-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;2-(4-fluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(3-methoxyphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-(3-methylphenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole (PubChem CID 158365319) has the molecular formula C79H103F5N10O and a molecular weight of 1303.75 g/mol. Its IUPAC name is ethane;2-(4-fluoro-3-methylphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(4-fluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(3-methoxyphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-(3-methylphenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole.

Molecular Properties

• Compound Name: ethane;2-(4-fluoro-3-methylphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(4-fluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(3-methoxyphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-(3-methylphenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
• PubChem CID: 158365319
• Molecular Formula: C79H103F5N10O
• Molecular Weight: 1303.75 g/mol
• Exact Mass: 1302.82
• IUPAC Name: ethane;2-(4-fluoro-3-methylphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(4-fluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(3-methoxyphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-(3-methylphenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
• SMILES: CC.CC.CC.CC.CC.COc1cccc(-c2nn3c(c2C)CCC3)c1.Cc1c(-c2ccc(F)cc2)nn2c1CCC2.Cc1c(-c2cccc(C(F)(F)F)c2)nn2c1CCC2.Cc1cc(-c2nn3c(c2C)CCC3)ccc1F.Cc1cccc(-c2nn3c(c2C)CCC3)c1
• InChI: InChI=1S/C14H13F3N2.C14H15FN2.C14H16N2O.C14H16N2.C13H13FN2.5C2H6/c1-9-12-6-3-7-19(12)18-13(9)10-4-2-5-11(8-10)14(15,16)17;1-9-8-11(5-6-12(9)15)14-10(2)13-4-3-7-17(13)16-14;1-10-13-7-4-8-16(13)15-14(10)11-5-3-6-12(9-11)17-2;1-10-5-3-6-12(9-10)14-11(2)13-7-4-8-16(13)15-14;1-9-12-3-2-8-16(12)15-13(9)10-4-6-11(14)7-5-10;5*1-2/h2,4-5,8H,3,6-7H2,1H3;5-6,8H,3-4,7H2,1-2H3;3,5-6,9H,4,7-8H2,1-2H3;3,5-6,9H,4,7-8H2,1-2H3;4-7H,2-3,8H2,1H3;5*1-2H3
• InChIKey: GTYQGMBQQNOTRL-UHFFFAOYSA-N
• XLogP: 21.08
• TPSA: 98.33 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1303.75
LogP ≤ 5	21.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of ethane;2-(4-fluoro-3-methylphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(4-fluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(3-methoxyphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-(3-methylphenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?

The IUPAC name of ethane;2-(4-fluoro-3-methylphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(4-fluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(3-methoxyphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-(3-methylphenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole (CID 158365319) is ethane;2-(4-fluoro-3-methylphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(4-fluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(3-methoxyphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-(3-methylphenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole.

What is the SMILES notation for ethane;2-(4-fluoro-3-methylphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(4-fluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(3-methoxyphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-(3-methylphenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?

The canonical SMILES for ethane;2-(4-fluoro-3-methylphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(4-fluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(3-methoxyphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-(3-methylphenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole is CC.CC.CC.CC.CC.COc1cccc(-c2nn3c(c2C)CCC3)c1.Cc1c(-c2ccc(F)cc2)nn2c1CCC2.Cc1c(-c2cccc(C(F)(F)F)c2)nn2c1CCC2.Cc1cc(-c2nn3c(c2C)CCC3)ccc1F.Cc1cccc(-c2nn3c(c2C)CCC3)c1.

What is the InChIKey of ethane;2-(4-fluoro-3-methylphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(4-fluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(3-methoxyphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-(3-methylphenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?

The InChIKey is GTYQGMBQQNOTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2.C14H15FN2.C14H16N2O.C14H16N2.C13H13FN2.5C2H6/c1-9-12-6-3-7-19(12)18-13(9)10-4-2-5-11(8-10)14(15,16)17;1-9-8-11(5-6-12(9)15)14-10(2)13-4-3-7-17(13)16-14;1-10-13-7-4-8-16(13)15-14(10)11-5-3-6-12(9-11)17-2;1-10-5-3-6-12(9-10)14-11(2)13-7-4-8-16(13)15-14;1-9-12-3-2-8-16(12)15-13(9)10-4-6-11(14)7-5-10;5*1-2/h2,4-5,8H,3,6-7H2,1H3;5-6,8H,3-4,7H2,1-2H3;3,5-6,9H,4,7-8H2,1-2H3;3,5-6,9H,4,7-8H2,1-2H3;4-7H,2-3,8H2,1H3;5*1-2H3.

What are the key properties of ethane;2-(4-fluoro-3-methylphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(4-fluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(3-methoxyphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-(3-methylphenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-[3-(trifluoromethyl)phenyl]-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;2-(4-fluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(3-methoxyphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-(3-methylphenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole has a molecular weight of 1303.75 g/mol, XLogP of 21.08, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;2-(4-fluoro-3-methylphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(4-fluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(3-methoxyphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-(3-methylphenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole is sourced from PubChem (CID 158365319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).