1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-indazol-5-yl]-3-methyl-3-phenylbutan-1-ol

C25H29FN2O — CID 66919444

About 1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-indazol-5-yl]-3-methyl-3-phenylbutan-1-ol

1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-indazol-5-yl]-3-methyl-3-phenylbutan-1-ol (PubChem CID 66919444) has the molecular formula C25H29FN2O and a molecular weight of 392.52 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-indazol-5-yl]-3-methyl-3-phenylbutan-1-ol.

Molecular Properties

• Compound Name: 1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-indazol-5-yl]-3-methyl-3-phenylbutan-1-ol
• PubChem CID: 66919444
• Molecular Formula: C25H29FN2O
• Molecular Weight: 392.52 g/mol
• Exact Mass: 392.23
• IUPAC Name: 1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-indazol-5-yl]-3-methyl-3-phenylbutan-1-ol
• SMILES: CC(C)(CC(O)C1(C)CCc2c(cnn2-c2ccc(F)cc2)C1)c1ccccc1
• InChI: InChI=1S/C25H29FN2O/c1-24(2,19-7-5-4-6-8-19)16-23(29)25(3)14-13-22-18(15-25)17-27-28(22)21-11-9-20(26)10-12-21/h4-12,17,23,29H,13-16H2,1-3H3
• InChIKey: FMPPEEZQXBDOGK-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 38.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	392.52
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-indazol-5-yl]-3-methyl-3-phenylbutan-1-ol?

The IUPAC name of 1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-indazol-5-yl]-3-methyl-3-phenylbutan-1-ol (CID 66919444) is 1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-indazol-5-yl]-3-methyl-3-phenylbutan-1-ol.

What is the SMILES notation for 1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-indazol-5-yl]-3-methyl-3-phenylbutan-1-ol?

The canonical SMILES for 1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-indazol-5-yl]-3-methyl-3-phenylbutan-1-ol is CC(C)(CC(O)C1(C)CCc2c(cnn2-c2ccc(F)cc2)C1)c1ccccc1.

What is the InChIKey of 1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-indazol-5-yl]-3-methyl-3-phenylbutan-1-ol?

The InChIKey is FMPPEEZQXBDOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O/c1-24(2,19-7-5-4-6-8-19)16-23(29)25(3)14-13-22-18(15-25)17-27-28(22)21-11-9-20(26)10-12-21/h4-12,17,23,29H,13-16H2,1-3H3.

What are the key properties of 1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-indazol-5-yl]-3-methyl-3-phenylbutan-1-ol?

1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-indazol-5-yl]-3-methyl-3-phenylbutan-1-ol has a molecular weight of 392.52 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-indazol-5-yl]-3-methyl-3-phenylbutan-1-ol is sourced from PubChem (CID 66919444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).