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

C15H12ClN5O2 — CID 135976661

IUPAC4-[(4-chlorophenyl)diazenyl]-5-(4-methoxy-3-pyridinyl)-1,2-dihydropyrazol-3-one
SMILESCOc1ccncc1-c1[nH][nH]c(=O)c1/N=N/c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClN5O2/c1-23-12-6-7-17-8-11(12)13-14(15(22)21-19-13)20-18-10-4-2-9(16)3-5-10/h2-8H,1H3,(H2,19,21,22)/b20-18+
InChIKeyXUCZYXYTKGURIY-CZIZESTLSA-N
MW329.75 g/mol
LogP3.84
Rot. Bonds4

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

4-[(4-chlorophenyl)diazenyl]-5-(4-methoxy-3-pyridinyl)-1,2-dihydropyrazol-3-one (PubChem CID 135976661) has the molecular formula C15H12ClN5O2 and a molecular weight of 329.75 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)diazenyl]-5-(4-methoxy-3-pyridinyl)-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4-[(4-chlorophenyl)diazenyl]-5-(4-methoxy-3-pyridinyl)-1,2-dihydropyrazol-3-one
PubChem CID135976661
Molecular FormulaC15H12ClN5O2
Molecular Weight329.75 g/mol
Exact Mass329.07
IUPAC Name4-[(4-chlorophenyl)diazenyl]-5-(4-methoxy-3-pyridinyl)-1,2-dihydropyrazol-3-one
SMILESCOc1ccncc1-c1[nH][nH]c(=O)c1/N=N/c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClN5O2/c1-23-12-6-7-17-8-11(12)13-14(15(22)21-19-13)20-18-10-4-2-9(16)3-5-10/h2-8H,1H3,(H2,19,21,22)/b20-18+
InChIKeyXUCZYXYTKGURIY-CZIZESTLSA-N
XLogP3.84
TPSA95.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.75
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 4-[(4-chlorophenyl)diazenyl]-5-(4-methoxy-3-pyridinyl)-1,2-dihydropyrazol-3-one?
The IUPAC name of 4-[(4-chlorophenyl)diazenyl]-5-(4-methoxy-3-pyridinyl)-1,2-dihydropyrazol-3-one (CID 135976661) is 4-[(4-chlorophenyl)diazenyl]-5-(4-methoxy-3-pyridinyl)-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4-[(4-chlorophenyl)diazenyl]-5-(4-methoxy-3-pyridinyl)-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4-[(4-chlorophenyl)diazenyl]-5-(4-methoxy-3-pyridinyl)-1,2-dihydropyrazol-3-one is COc1ccncc1-c1[nH][nH]c(=O)c1/N=N/c1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)diazenyl]-5-(4-methoxy-3-pyridinyl)-1,2-dihydropyrazol-3-one?
The InChIKey is XUCZYXYTKGURIY-CZIZESTLSA-N. The full InChI is InChI=1S/C15H12ClN5O2/c1-23-12-6-7-17-8-11(12)13-14(15(22)21-19-13)20-18-10-4-2-9(16)3-5-10/h2-8H,1H3,(H2,19,21,22)/b20-18+.
What are the key properties of 4-[(4-chlorophenyl)diazenyl]-5-(4-methoxy-3-pyridinyl)-1,2-dihydropyrazol-3-one?
4-[(4-chlorophenyl)diazenyl]-5-(4-methoxy-3-pyridinyl)-1,2-dihydropyrazol-3-one has a molecular weight of 329.75 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)diazenyl]-5-(4-methoxy-3-pyridinyl)-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 135976661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).