4-[2-[4-[2-[3-[(E)-2-[4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]phenoxy]ethyl]morpholine

C31H38N4O4 — CID 154196366

About 4-[2-[4-[2-[3-[(E)-2-[4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]phenoxy]ethyl]morpholine

4-[2-[4-[2-[3-[(E)-2-[4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]phenoxy]ethyl]morpholine (PubChem CID 154196366) has the molecular formula C31H38N4O4 and a molecular weight of 530.67 g/mol. Its IUPAC name is 4-[2-[4-[2-[3-[(E)-2-[4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]phenoxy]ethyl]morpholine.

Molecular Properties

• Compound Name: 4-[2-[4-[2-[3-[(E)-2-[4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]phenoxy]ethyl]morpholine
• PubChem CID: 154196366
• Molecular Formula: C31H38N4O4
• Molecular Weight: 530.67 g/mol
• Exact Mass: 530.29
• IUPAC Name: 4-[2-[4-[2-[3-[(E)-2-[4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]phenoxy]ethyl]morpholine
• SMILES: C(=Cc1cc(/C=C/c2ccc(OCCN3CCOCC3)cc2)n[nH]1)c1ccc(OCCN2CCOCC2)cc1
• InChI: InChI=1S/C31H38N4O4/c1(26-3-9-30(10-4-26)38-23-17-34-13-19-36-20-14-34)7-28-25-29(33-32-28)8-2-27-5-11-31(12-6-27)39-24-18-35-15-21-37-22-16-35/h1-12,25H,13-24H2,(H,32,33)/b7-1+,8-2?
• InChIKey: ZWXGKCPXXHDCRN-PPTMVFQYSA-N
• XLogP: 4.17
• TPSA: 72.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.67
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-[3-[(E)-2-[4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]phenoxy]ethyl]morpholine?

The IUPAC name of 4-[2-[4-[2-[3-[(E)-2-[4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]phenoxy]ethyl]morpholine (CID 154196366) is 4-[2-[4-[2-[3-[(E)-2-[4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]phenoxy]ethyl]morpholine.

What is the SMILES notation for 4-[2-[4-[2-[3-[(E)-2-[4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]phenoxy]ethyl]morpholine?

The canonical SMILES for 4-[2-[4-[2-[3-[(E)-2-[4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]phenoxy]ethyl]morpholine is C(=Cc1cc(/C=C/c2ccc(OCCN3CCOCC3)cc2)n[nH]1)c1ccc(OCCN2CCOCC2)cc1.

What is the InChIKey of 4-[2-[4-[2-[3-[(E)-2-[4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]phenoxy]ethyl]morpholine?

The InChIKey is ZWXGKCPXXHDCRN-PPTMVFQYSA-N. The full InChI is InChI=1S/C31H38N4O4/c1(26-3-9-30(10-4-26)38-23-17-34-13-19-36-20-14-34)7-28-25-29(33-32-28)8-2-27-5-11-31(12-6-27)39-24-18-35-15-21-37-22-16-35/h1-12,25H,13-24H2,(H,32,33)/b7-1+,8-2?.

What are the key properties of 4-[2-[4-[2-[3-[(E)-2-[4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]phenoxy]ethyl]morpholine?

4-[2-[4-[2-[3-[(E)-2-[4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]phenoxy]ethyl]morpholine has a molecular weight of 530.67 g/mol, XLogP of 4.17, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[4-[2-[3-[(E)-2-[4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]phenoxy]ethyl]morpholine is sourced from PubChem (CID 154196366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).