1-[1-(3-chlorophenyl)-5-[3-(3-morpholin-4-ylpropoxy)phenyl]pyrazole-3-carbonyl]imidazolidin-4-one

C26H28ClN5O4 — CID 58277357

IUPAC1-[1-(3-chlorophenyl)-5-[3-(3-morpholin-4-ylpropoxy)phenyl]pyrazole-3-carbonyl]imidazolidin-4-one
SMILESO=C1CN(C(=O)c2cc(-c3cccc(OCCCN4CCOCC4)c3)n(-c3cccc(Cl)c3)n2)CN1
InChIInChI=1S/C26H28ClN5O4/c27-20-5-2-6-21(15-20)32-24(16-23(29-32)26(34)31-17-25(33)28-18-31)19-4-1-7-22(14-19)36-11-3-8-30-9-12-35-13-10-30/h1-2,4-7,14-16H,3,8-13,17-18H2,(H,28,33)
InChIKeyYDEFJPVCMJZWSY-UHFFFAOYSA-N
MW509.99 g/mol
LogP2.82
Rot. Bonds8

About 1-[1-(3-chlorophenyl)-5-[3-(3-morpholin-4-ylpropoxy)phenyl]pyrazole-3-carbonyl]imidazolidin-4-one

1-[1-(3-chlorophenyl)-5-[3-(3-morpholin-4-ylpropoxy)phenyl]pyrazole-3-carbonyl]imidazolidin-4-one (PubChem CID 58277357) has the molecular formula C26H28ClN5O4 and a molecular weight of 509.99 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)-5-[3-(3-morpholin-4-ylpropoxy)phenyl]pyrazole-3-carbonyl]imidazolidin-4-one.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)-5-[3-(3-morpholin-4-ylpropoxy)phenyl]pyrazole-3-carbonyl]imidazolidin-4-one
PubChem CID58277357
Molecular FormulaC26H28ClN5O4
Molecular Weight509.99 g/mol
Exact Mass509.18
IUPAC Name1-[1-(3-chlorophenyl)-5-[3-(3-morpholin-4-ylpropoxy)phenyl]pyrazole-3-carbonyl]imidazolidin-4-one
SMILESO=C1CN(C(=O)c2cc(-c3cccc(OCCCN4CCOCC4)c3)n(-c3cccc(Cl)c3)n2)CN1
InChIInChI=1S/C26H28ClN5O4/c27-20-5-2-6-21(15-20)32-24(16-23(29-32)26(34)31-17-25(33)28-18-31)19-4-1-7-22(14-19)36-11-3-8-30-9-12-35-13-10-30/h1-2,4-7,14-16H,3,8-13,17-18H2,(H,28,33)
InChIKeyYDEFJPVCMJZWSY-UHFFFAOYSA-N
XLogP2.82
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.99
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)-5-[3-(3-morpholin-4-ylpropoxy)phenyl]pyrazole-3-carbonyl]imidazolidin-4-one?
The IUPAC name of 1-[1-(3-chlorophenyl)-5-[3-(3-morpholin-4-ylpropoxy)phenyl]pyrazole-3-carbonyl]imidazolidin-4-one (CID 58277357) is 1-[1-(3-chlorophenyl)-5-[3-(3-morpholin-4-ylpropoxy)phenyl]pyrazole-3-carbonyl]imidazolidin-4-one.
What is the SMILES notation for 1-[1-(3-chlorophenyl)-5-[3-(3-morpholin-4-ylpropoxy)phenyl]pyrazole-3-carbonyl]imidazolidin-4-one?
The canonical SMILES for 1-[1-(3-chlorophenyl)-5-[3-(3-morpholin-4-ylpropoxy)phenyl]pyrazole-3-carbonyl]imidazolidin-4-one is O=C1CN(C(=O)c2cc(-c3cccc(OCCCN4CCOCC4)c3)n(-c3cccc(Cl)c3)n2)CN1.
What is the InChIKey of 1-[1-(3-chlorophenyl)-5-[3-(3-morpholin-4-ylpropoxy)phenyl]pyrazole-3-carbonyl]imidazolidin-4-one?
The InChIKey is YDEFJPVCMJZWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN5O4/c27-20-5-2-6-21(15-20)32-24(16-23(29-32)26(34)31-17-25(33)28-18-31)19-4-1-7-22(14-19)36-11-3-8-30-9-12-35-13-10-30/h1-2,4-7,14-16H,3,8-13,17-18H2,(H,28,33).
What are the key properties of 1-[1-(3-chlorophenyl)-5-[3-(3-morpholin-4-ylpropoxy)phenyl]pyrazole-3-carbonyl]imidazolidin-4-one?
1-[1-(3-chlorophenyl)-5-[3-(3-morpholin-4-ylpropoxy)phenyl]pyrazole-3-carbonyl]imidazolidin-4-one has a molecular weight of 509.99 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)-5-[3-(3-morpholin-4-ylpropoxy)phenyl]pyrazole-3-carbonyl]imidazolidin-4-one is sourced from PubChem (CID 58277357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).