2-(3,5-diphenylpyrazol-1-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide

C32H31N5O2 — CID 46881839

About 2-(3,5-diphenylpyrazol-1-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide

2-(3,5-diphenylpyrazol-1-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide (PubChem CID 46881839) has the molecular formula C32H31N5O2 and a molecular weight of 517.63 g/mol. Its IUPAC name is 2-(3,5-diphenylpyrazol-1-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(3,5-diphenylpyrazol-1-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide
• PubChem CID: 46881839
• Molecular Formula: C32H31N5O2
• Molecular Weight: 517.63 g/mol
• Exact Mass: 517.25
• IUPAC Name: 2-(3,5-diphenylpyrazol-1-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide
• SMILES: O=C(Cn1nc(-c2ccccc2)cc1-c1ccccc1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
• InChI: InChI=1S/C32H31N5O2/c38-31(27-12-7-18-33-21-27)22-34-19-17-24-13-15-28(16-14-24)35-32(39)23-37-30(26-10-5-2-6-11-26)20-29(36-37)25-8-3-1-4-9-25/h1-16,18,20-21,31,34,38H,17,19,22-23H2,(H,35,39)/t31-/m0/s1
• InChIKey: NDZNROZJBIXEDW-HKBQPEDESA-N
• XLogP: 5.12
• TPSA: 92.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.63
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diphenylpyrazol-1-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide?

The IUPAC name of 2-(3,5-diphenylpyrazol-1-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide (CID 46881839) is 2-(3,5-diphenylpyrazol-1-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide.

What is the SMILES notation for 2-(3,5-diphenylpyrazol-1-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide?

The canonical SMILES for 2-(3,5-diphenylpyrazol-1-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide is O=C(Cn1nc(-c2ccccc2)cc1-c1ccccc1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1.

What is the InChIKey of 2-(3,5-diphenylpyrazol-1-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide?

The InChIKey is NDZNROZJBIXEDW-HKBQPEDESA-N. The full InChI is InChI=1S/C32H31N5O2/c38-31(27-12-7-18-33-21-27)22-34-19-17-24-13-15-28(16-14-24)35-32(39)23-37-30(26-10-5-2-6-11-26)20-29(36-37)25-8-3-1-4-9-25/h1-16,18,20-21,31,34,38H,17,19,22-23H2,(H,35,39)/t31-/m0/s1.

What are the key properties of 2-(3,5-diphenylpyrazol-1-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide?

2-(3,5-diphenylpyrazol-1-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide has a molecular weight of 517.63 g/mol, XLogP of 5.12, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-diphenylpyrazol-1-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide is sourced from PubChem (CID 46881839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).