1-(2,4-difluorophenyl)-6-[(3-fluorophenyl)methyl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C29H26F3N3O2 — CID 59457438

About 1-(2,4-difluorophenyl)-6-[(3-fluorophenyl)methyl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

1-(2,4-difluorophenyl)-6-[(3-fluorophenyl)methyl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 59457438) has the molecular formula C29H26F3N3O2 and a molecular weight of 505.54 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-6-[(3-fluorophenyl)methyl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2,4-difluorophenyl)-6-[(3-fluorophenyl)methyl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
• PubChem CID: 59457438
• Molecular Formula: C29H26F3N3O2
• Molecular Weight: 505.54 g/mol
• Exact Mass: 505.20
• IUPAC Name: 1-(2,4-difluorophenyl)-6-[(3-fluorophenyl)methyl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
• SMILES: O=C(N[C@@H](CO)Cc1ccccc1)c1nn(-c2ccc(F)cc2F)c2c1CCC2Cc1cccc(F)c1
• InChI: InChI=1S/C29H26F3N3O2/c30-21-8-4-7-19(14-21)13-20-9-11-24-27(29(37)33-23(17-36)15-18-5-2-1-3-6-18)34-35(28(20)24)26-12-10-22(31)16-25(26)32/h1-8,10,12,14,16,20,23,36H,9,11,13,15,17H2,(H,33,37)/t20?,23-/m1/s1
• InChIKey: CUVFQAKCRNDKTL-GWQXNCQPSA-N
• XLogP: 4.90
• TPSA: 67.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.54
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-6-[(3-fluorophenyl)methyl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?

The IUPAC name of 1-(2,4-difluorophenyl)-6-[(3-fluorophenyl)methyl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 59457438) is 1-(2,4-difluorophenyl)-6-[(3-fluorophenyl)methyl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

What is the SMILES notation for 1-(2,4-difluorophenyl)-6-[(3-fluorophenyl)methyl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?

The canonical SMILES for 1-(2,4-difluorophenyl)-6-[(3-fluorophenyl)methyl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is O=C(N[C@@H](CO)Cc1ccccc1)c1nn(-c2ccc(F)cc2F)c2c1CCC2Cc1cccc(F)c1.

What is the InChIKey of 1-(2,4-difluorophenyl)-6-[(3-fluorophenyl)methyl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?

The InChIKey is CUVFQAKCRNDKTL-GWQXNCQPSA-N. The full InChI is InChI=1S/C29H26F3N3O2/c30-21-8-4-7-19(14-21)13-20-9-11-24-27(29(37)33-23(17-36)15-18-5-2-1-3-6-18)34-35(28(20)24)26-12-10-22(31)16-25(26)32/h1-8,10,12,14,16,20,23,36H,9,11,13,15,17H2,(H,33,37)/t20?,23-/m1/s1.

What are the key properties of 1-(2,4-difluorophenyl)-6-[(3-fluorophenyl)methyl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?

1-(2,4-difluorophenyl)-6-[(3-fluorophenyl)methyl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 505.54 g/mol, XLogP of 4.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,4-difluorophenyl)-6-[(3-fluorophenyl)methyl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 59457438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).