5-(4-methoxy-3-pyridinyl)-4-[(4-morpholin-4-ylphenyl)diazenyl]-1,2-dihydropyrazol-3-one

C19H20N6O3 — CID 135976592

IUPAC5-(4-methoxy-3-pyridinyl)-4-[(4-morpholin-4-ylphenyl)diazenyl]-1,2-dihydropyrazol-3-one
SMILESCOc1ccncc1-c1[nH][nH]c(=O)c1/N=N/c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H20N6O3/c1-27-16-6-7-20-12-15(16)17-18(19(26)24-22-17)23-21-13-2-4-14(5-3-13)25-8-10-28-11-9-25/h2-7,12H,8-11H2,1H3,(H2,22,24,26)/b23-21+
InChIKeyZOZQHLLNZJKZDD-XTQSDGFTSA-N
MW380.41 g/mol
LogP3.03
Rot. Bonds5

About 5-(4-methoxy-3-pyridinyl)-4-[(4-morpholin-4-ylphenyl)diazenyl]-1,2-dihydropyrazol-3-one

5-(4-methoxy-3-pyridinyl)-4-[(4-morpholin-4-ylphenyl)diazenyl]-1,2-dihydropyrazol-3-one (PubChem CID 135976592) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is 5-(4-methoxy-3-pyridinyl)-4-[(4-morpholin-4-ylphenyl)diazenyl]-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-(4-methoxy-3-pyridinyl)-4-[(4-morpholin-4-ylphenyl)diazenyl]-1,2-dihydropyrazol-3-one
PubChem CID135976592
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC Name5-(4-methoxy-3-pyridinyl)-4-[(4-morpholin-4-ylphenyl)diazenyl]-1,2-dihydropyrazol-3-one
SMILESCOc1ccncc1-c1[nH][nH]c(=O)c1/N=N/c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H20N6O3/c1-27-16-6-7-20-12-15(16)17-18(19(26)24-22-17)23-21-13-2-4-14(5-3-13)25-8-10-28-11-9-25/h2-7,12H,8-11H2,1H3,(H2,22,24,26)/b23-21+
InChIKeyZOZQHLLNZJKZDD-XTQSDGFTSA-N
XLogP3.03
TPSA107.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-3-pyridinyl)-4-[(4-morpholin-4-ylphenyl)diazenyl]-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-(4-methoxy-3-pyridinyl)-4-[(4-morpholin-4-ylphenyl)diazenyl]-1,2-dihydropyrazol-3-one (CID 135976592) is 5-(4-methoxy-3-pyridinyl)-4-[(4-morpholin-4-ylphenyl)diazenyl]-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-(4-methoxy-3-pyridinyl)-4-[(4-morpholin-4-ylphenyl)diazenyl]-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-(4-methoxy-3-pyridinyl)-4-[(4-morpholin-4-ylphenyl)diazenyl]-1,2-dihydropyrazol-3-one is COc1ccncc1-c1[nH][nH]c(=O)c1/N=N/c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 5-(4-methoxy-3-pyridinyl)-4-[(4-morpholin-4-ylphenyl)diazenyl]-1,2-dihydropyrazol-3-one?
The InChIKey is ZOZQHLLNZJKZDD-XTQSDGFTSA-N. The full InChI is InChI=1S/C19H20N6O3/c1-27-16-6-7-20-12-15(16)17-18(19(26)24-22-17)23-21-13-2-4-14(5-3-13)25-8-10-28-11-9-25/h2-7,12H,8-11H2,1H3,(H2,22,24,26)/b23-21+.
What are the key properties of 5-(4-methoxy-3-pyridinyl)-4-[(4-morpholin-4-ylphenyl)diazenyl]-1,2-dihydropyrazol-3-one?
5-(4-methoxy-3-pyridinyl)-4-[(4-morpholin-4-ylphenyl)diazenyl]-1,2-dihydropyrazol-3-one has a molecular weight of 380.41 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-3-pyridinyl)-4-[(4-morpholin-4-ylphenyl)diazenyl]-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 135976592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).