4-[5-[4-(4-nitrophenoxy)phenyl]-1H-pyrazol-3-yl]morpholine

C19H18N4O4 — CID 23656794

IUPAC4-[5-[4-(4-nitrophenoxy)phenyl]-1H-pyrazol-3-yl]morpholine
SMILESO=[N+]([O-])c1ccc(Oc2ccc(-c3cc(N4CCOCC4)n[nH]3)cc2)cc1
InChIInChI=1S/C19H18N4O4/c24-23(25)15-3-7-17(8-4-15)27-16-5-1-14(2-6-16)18-13-19(21-20-18)22-9-11-26-12-10-22/h1-8,13H,9-12H2,(H,20,21)
InChIKeyAJJHOQJRVMHWLL-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.61
Rot. Bonds5

About 4-[5-[4-(4-nitrophenoxy)phenyl]-1H-pyrazol-3-yl]morpholine

4-[5-[4-(4-nitrophenoxy)phenyl]-1H-pyrazol-3-yl]morpholine (PubChem CID 23656794) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is 4-[5-[4-(4-nitrophenoxy)phenyl]-1H-pyrazol-3-yl]morpholine.

Molecular Properties

Compound Name4-[5-[4-(4-nitrophenoxy)phenyl]-1H-pyrazol-3-yl]morpholine
PubChem CID23656794
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Name4-[5-[4-(4-nitrophenoxy)phenyl]-1H-pyrazol-3-yl]morpholine
SMILESO=[N+]([O-])c1ccc(Oc2ccc(-c3cc(N4CCOCC4)n[nH]3)cc2)cc1
InChIInChI=1S/C19H18N4O4/c24-23(25)15-3-7-17(8-4-15)27-16-5-1-14(2-6-16)18-13-19(21-20-18)22-9-11-26-12-10-22/h1-8,13H,9-12H2,(H,20,21)
InChIKeyAJJHOQJRVMHWLL-UHFFFAOYSA-N
XLogP3.61
TPSA93.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[5-[4-(4-nitrophenoxy)phenyl]-1H-pyrazol-3-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-(4-nitrophenoxy)phenyl]-1H-pyrazol-3-yl]morpholine?
The IUPAC name of 4-[5-[4-(4-nitrophenoxy)phenyl]-1H-pyrazol-3-yl]morpholine (CID 23656794) is 4-[5-[4-(4-nitrophenoxy)phenyl]-1H-pyrazol-3-yl]morpholine.
What is the SMILES notation for 4-[5-[4-(4-nitrophenoxy)phenyl]-1H-pyrazol-3-yl]morpholine?
The canonical SMILES for 4-[5-[4-(4-nitrophenoxy)phenyl]-1H-pyrazol-3-yl]morpholine is O=[N+]([O-])c1ccc(Oc2ccc(-c3cc(N4CCOCC4)n[nH]3)cc2)cc1.
What is the InChIKey of 4-[5-[4-(4-nitrophenoxy)phenyl]-1H-pyrazol-3-yl]morpholine?
The InChIKey is AJJHOQJRVMHWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c24-23(25)15-3-7-17(8-4-15)27-16-5-1-14(2-6-16)18-13-19(21-20-18)22-9-11-26-12-10-22/h1-8,13H,9-12H2,(H,20,21).
What are the key properties of 4-[5-[4-(4-nitrophenoxy)phenyl]-1H-pyrazol-3-yl]morpholine?
4-[5-[4-(4-nitrophenoxy)phenyl]-1H-pyrazol-3-yl]morpholine has a molecular weight of 366.38 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(4-nitrophenoxy)phenyl]-1H-pyrazol-3-yl]morpholine is sourced from PubChem (CID 23656794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).