trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(6-ethoxypyrazin-2-yl)amino]cyclopentan-1-ol

C15H20ClN5O2 — CID 167973648

About trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(6-ethoxypyrazin-2-yl)amino]cyclopentan-1-ol

trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(6-ethoxypyrazin-2-yl)amino]cyclopentan-1-ol (PubChem CID 167973648) has the molecular formula C15H20ClN5O2 and a molecular weight of 337.81 g/mol. Its IUPAC name is trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(6-ethoxypyrazin-2-yl)amino]cyclopentan-1-ol.

Molecular Properties

• Compound Name: trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(6-ethoxypyrazin-2-yl)amino]cyclopentan-1-ol
• PubChem CID: 167973648
• Molecular Formula: C15H20ClN5O2
• Molecular Weight: 337.81 g/mol
• Exact Mass: 337.13
• IUPAC Name: trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(6-ethoxypyrazin-2-yl)amino]cyclopentan-1-ol
• SMILES: CCOc1cncc(N[C@@H]2CC(Cn3cc(Cl)cn3)C[C@H]2O)n1
• InChI: InChI=1S/C15H20ClN5O2/c1-2-23-15-7-17-6-14(20-15)19-12-3-10(4-13(12)22)8-21-9-11(16)5-18-21/h5-7,9-10,12-13,22H,2-4,8H2,1H3,(H,19,20)/t10?,12-,13-/m1/s1
• InChIKey: YKYZZWFVSSXZSB-SKVSWLLESA-N
• XLogP: 1.98
• TPSA: 85.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.81
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(6-ethoxypyrazin-2-yl)amino]cyclopentan-1-ol?

The IUPAC name of trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(6-ethoxypyrazin-2-yl)amino]cyclopentan-1-ol (CID 167973648) is trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(6-ethoxypyrazin-2-yl)amino]cyclopentan-1-ol.

What is the SMILES notation for trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(6-ethoxypyrazin-2-yl)amino]cyclopentan-1-ol?

The canonical SMILES for trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(6-ethoxypyrazin-2-yl)amino]cyclopentan-1-ol is CCOc1cncc(N[C@@H]2CC(Cn3cc(Cl)cn3)C[C@H]2O)n1.

What is the InChIKey of trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(6-ethoxypyrazin-2-yl)amino]cyclopentan-1-ol?

The InChIKey is YKYZZWFVSSXZSB-SKVSWLLESA-N. The full InChI is InChI=1S/C15H20ClN5O2/c1-2-23-15-7-17-6-14(20-15)19-12-3-10(4-13(12)22)8-21-9-11(16)5-18-21/h5-7,9-10,12-13,22H,2-4,8H2,1H3,(H,19,20)/t10?,12-,13-/m1/s1.

What are the key properties of trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(6-ethoxypyrazin-2-yl)amino]cyclopentan-1-ol?

trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(6-ethoxypyrazin-2-yl)amino]cyclopentan-1-ol has a molecular weight of 337.81 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(6-ethoxypyrazin-2-yl)amino]cyclopentan-1-ol is sourced from PubChem (CID 167973648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).