trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(1-phenylimidazol-2-yl)methylamino]cyclopentan-1-ol

C19H22ClN5O — CID 166285886

About trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(1-phenylimidazol-2-yl)methylamino]cyclopentan-1-ol

trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(1-phenylimidazol-2-yl)methylamino]cyclopentan-1-ol (PubChem CID 166285886) has the molecular formula C19H22ClN5O and a molecular weight of 371.87 g/mol. Its IUPAC name is trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(1-phenylimidazol-2-yl)methylamino]cyclopentan-1-ol.

Molecular Properties

• Compound Name: trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(1-phenylimidazol-2-yl)methylamino]cyclopentan-1-ol
• PubChem CID: 166285886
• Molecular Formula: C19H22ClN5O
• Molecular Weight: 371.87 g/mol
• Exact Mass: 371.15
• IUPAC Name: trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(1-phenylimidazol-2-yl)methylamino]cyclopentan-1-ol
• SMILES: O[C@@H]1CC(Cn2cc(Cl)cn2)C[C@H]1NCc1nccn1-c1ccccc1
• InChI: InChI=1S/C19H22ClN5O/c20-15-10-23-24(13-15)12-14-8-17(18(26)9-14)22-11-19-21-6-7-25(19)16-4-2-1-3-5-16/h1-7,10,13-14,17-18,22,26H,8-9,11-12H2/t14?,17-,18-/m1/s1
• InChIKey: ARSOFIMHMHGENB-KNHHTTPFSA-N
• XLogP: 2.65
• TPSA: 67.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.87
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(1-phenylimidazol-2-yl)methylamino]cyclopentan-1-ol?

The IUPAC name of trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(1-phenylimidazol-2-yl)methylamino]cyclopentan-1-ol (CID 166285886) is trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(1-phenylimidazol-2-yl)methylamino]cyclopentan-1-ol.

What is the SMILES notation for trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(1-phenylimidazol-2-yl)methylamino]cyclopentan-1-ol?

The canonical SMILES for trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(1-phenylimidazol-2-yl)methylamino]cyclopentan-1-ol is O[C@@H]1CC(Cn2cc(Cl)cn2)C[C@H]1NCc1nccn1-c1ccccc1.

What is the InChIKey of trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(1-phenylimidazol-2-yl)methylamino]cyclopentan-1-ol?

The InChIKey is ARSOFIMHMHGENB-KNHHTTPFSA-N. The full InChI is InChI=1S/C19H22ClN5O/c20-15-10-23-24(13-15)12-14-8-17(18(26)9-14)22-11-19-21-6-7-25(19)16-4-2-1-3-5-16/h1-7,10,13-14,17-18,22,26H,8-9,11-12H2/t14?,17-,18-/m1/s1.

What are the key properties of trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(1-phenylimidazol-2-yl)methylamino]cyclopentan-1-ol?

trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(1-phenylimidazol-2-yl)methylamino]cyclopentan-1-ol has a molecular weight of 371.87 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(1-phenylimidazol-2-yl)methylamino]cyclopentan-1-ol is sourced from PubChem (CID 166285886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).