4-[(2-methoxyphenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one

C22H18N4O2 — CID 5238721

IUPAC4-[(2-methoxyphenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one
SMILESCOc1ccccc1/N=N/c1c(-c2ccccc2)[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C22H18N4O2/c1-28-19-15-9-8-14-18(19)23-24-21-20(16-10-4-2-5-11-16)25-26(22(21)27)17-12-6-3-7-13-17/h2-15,25H,1H3/b24-23+
InChIKeyYXTWUGBJJDICDV-WCWDXBQESA-N
MW370.41 g/mol
LogP5.26
Rot. Bonds5

About 4-[(2-methoxyphenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one

4-[(2-methoxyphenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one (PubChem CID 5238721) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one
PubChem CID5238721
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name4-[(2-methoxyphenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one
SMILESCOc1ccccc1/N=N/c1c(-c2ccccc2)[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C22H18N4O2/c1-28-19-15-9-8-14-18(19)23-24-21-20(16-10-4-2-5-11-16)25-26(22(21)27)17-12-6-3-7-13-17/h2-15,25H,1H3/b24-23+
InChIKeyYXTWUGBJJDICDV-WCWDXBQESA-N
XLogP5.26
TPSA71.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.41
LogP ≤ 55.26
H-Bond Donors ≤ 51
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-[(2-methoxyphenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one?
The IUPAC name of 4-[(2-methoxyphenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one (CID 5238721) is 4-[(2-methoxyphenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-[(2-methoxyphenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one?
The canonical SMILES for 4-[(2-methoxyphenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one is COc1ccccc1/N=N/c1c(-c2ccccc2)[nH]n(-c2ccccc2)c1=O.
What is the InChIKey of 4-[(2-methoxyphenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one?
The InChIKey is YXTWUGBJJDICDV-WCWDXBQESA-N. The full InChI is InChI=1S/C22H18N4O2/c1-28-19-15-9-8-14-18(19)23-24-21-20(16-10-4-2-5-11-16)25-26(22(21)27)17-12-6-3-7-13-17/h2-15,25H,1H3/b24-23+.
What are the key properties of 4-[(2-methoxyphenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one?
4-[(2-methoxyphenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one has a molecular weight of 370.41 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one is sourced from PubChem (CID 5238721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).