[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone

C23H25N3O3 — CID 155503480

About [(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone

[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone (PubChem CID 155503480) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is [(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone.

Molecular Properties

• Compound Name: [(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone
• PubChem CID: 155503480
• Molecular Formula: C23H25N3O3
• Molecular Weight: 391.47 g/mol
• Exact Mass: 391.19
• IUPAC Name: [(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone
• SMILES: COc1cccc(-c2ccc(C(=O)N3C[C@@H](Cc4cc(C)[nH]n4)[C@@H](O)C3)cc2)c1
• InChI: InChI=1S/C23H25N3O3/c1-15-10-20(25-24-15)11-19-13-26(14-22(19)27)23(28)17-8-6-16(7-9-17)18-4-3-5-21(12-18)29-2/h3-10,12,19,22,27H,11,13-14H2,1-2H3,(H,24,25)/t19-,22+/m1/s1
• InChIKey: JKIKOJOOCRERBH-KNQAVFIVSA-N
• XLogP: 3.07
• TPSA: 78.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.47
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone?

The IUPAC name of [(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone (CID 155503480) is [(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone.

What is the SMILES notation for [(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone?

The canonical SMILES for [(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone is COc1cccc(-c2ccc(C(=O)N3C[C@@H](Cc4cc(C)[nH]n4)[C@@H](O)C3)cc2)c1.

What is the InChIKey of [(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone?

The InChIKey is JKIKOJOOCRERBH-KNQAVFIVSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-15-10-20(25-24-15)11-19-13-26(14-22(19)27)23(28)17-8-6-16(7-9-17)18-4-3-5-21(12-18)29-2/h3-10,12,19,22,27H,11,13-14H2,1-2H3,(H,24,25)/t19-,22+/m1/s1.

What are the key properties of [(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone?

[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone has a molecular weight of 391.47 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone is sourced from PubChem (CID 155503480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).