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

C19H22ClN5O — CID 166285886

IUPACtrans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(1-phenylimidazol-2-yl)methylamino]cyclopentan-1-ol
SMILESO[C@@H]1CC(Cn2cc(Cl)cn2)C[C@H]1NCc1nccn1-c1ccccc1
InChIInChI=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
InChIKeyARSOFIMHMHGENB-KNHHTTPFSA-N
MW371.87 g/mol
LogP2.65
Rot. Bonds6

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 Nametrans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(1-phenylimidazol-2-yl)methylamino]cyclopentan-1-ol
PubChem CID166285886
Molecular FormulaC19H22ClN5O
Molecular Weight371.87 g/mol
Exact Mass371.15
IUPAC Nametrans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(1-phenylimidazol-2-yl)methylamino]cyclopentan-1-ol
SMILESO[C@@H]1CC(Cn2cc(Cl)cn2)C[C@H]1NCc1nccn1-c1ccccc1
InChIInChI=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
InChIKeyARSOFIMHMHGENB-KNHHTTPFSA-N
XLogP2.65
TPSA67.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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).