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

C16H13ClN4O2 — CID 135976643

IUPAC4-[(3-chlorophenyl)diazenyl]-5-(4-methoxyphenyl)-1,2-dihydropyrazol-3-one
SMILESCOc1ccc(-c2[nH][nH]c(=O)c2/N=N/c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H13ClN4O2/c1-23-13-7-5-10(6-8-13)14-15(16(22)21-19-14)20-18-12-4-2-3-11(17)9-12/h2-9H,1H3,(H2,19,21,22)/b20-18+
InChIKeyOMWYRAPUHQXHKY-CZIZESTLSA-N
MW328.76 g/mol
LogP4.45
Rot. Bonds4

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

4-[(3-chlorophenyl)diazenyl]-5-(4-methoxyphenyl)-1,2-dihydropyrazol-3-one (PubChem CID 135976643) has the molecular formula C16H13ClN4O2 and a molecular weight of 328.76 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)diazenyl]-5-(4-methoxyphenyl)-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4-[(3-chlorophenyl)diazenyl]-5-(4-methoxyphenyl)-1,2-dihydropyrazol-3-one
PubChem CID135976643
Molecular FormulaC16H13ClN4O2
Molecular Weight328.76 g/mol
Exact Mass328.07
IUPAC Name4-[(3-chlorophenyl)diazenyl]-5-(4-methoxyphenyl)-1,2-dihydropyrazol-3-one
SMILESCOc1ccc(-c2[nH][nH]c(=O)c2/N=N/c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H13ClN4O2/c1-23-13-7-5-10(6-8-13)14-15(16(22)21-19-14)20-18-12-4-2-3-11(17)9-12/h2-9H,1H3,(H2,19,21,22)/b20-18+
InChIKeyOMWYRAPUHQXHKY-CZIZESTLSA-N
XLogP4.45
TPSA82.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3,4-dimethoxyphenyl)-4-[(4-methoxyphenyl)diazenyl]-1,2-dihydropyrazol-3-one
CID 135976629
4-[(3-chlorophenyl)diazenyl]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-phenyl-1H-pyrazol-3-one
CID 5220984
5-(2,5-dimethoxyphenyl)-4-[(3-methoxy-4-phenylphenyl)diazenyl]-1,2-dihydropyrazol-3-one
CID 135685805
5-hydroxy-4-[(4-methoxyphenyl)diazenyl]-1,2-dihydropyrazol-3-one
CID 135709862
4-[(3-chlorophenyl)diazenyl]-3-hydroxy-2-phenyl-1H-pyrazol-5-one
CID 137184042
3-[[5-(4-methoxyphenyl)-3-oxo-2-phenyl-1H-pyrazol-4-yl]diazenyl]benzoic acid
CID 135645862
3-(3-chloroanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 6539464
1-chloro-3-[2-[4-(4-methoxyphenyl)phenyl]ethyl]benzene
CID 173351843
2-(3-chlorophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole
CID 1101728
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
3-amino-4-[(3-methoxyphenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one
CID 135431486
1-chloro-3-[2-(4-methoxyphenyl)ethyl]benzene
CID 131860634

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)diazenyl]-5-(4-methoxyphenyl)-1,2-dihydropyrazol-3-one?
The IUPAC name of 4-[(3-chlorophenyl)diazenyl]-5-(4-methoxyphenyl)-1,2-dihydropyrazol-3-one (CID 135976643) is 4-[(3-chlorophenyl)diazenyl]-5-(4-methoxyphenyl)-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4-[(3-chlorophenyl)diazenyl]-5-(4-methoxyphenyl)-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4-[(3-chlorophenyl)diazenyl]-5-(4-methoxyphenyl)-1,2-dihydropyrazol-3-one is COc1ccc(-c2[nH][nH]c(=O)c2/N=N/c2cccc(Cl)c2)cc1.
What is the InChIKey of 4-[(3-chlorophenyl)diazenyl]-5-(4-methoxyphenyl)-1,2-dihydropyrazol-3-one?
The InChIKey is OMWYRAPUHQXHKY-CZIZESTLSA-N. The full InChI is InChI=1S/C16H13ClN4O2/c1-23-13-7-5-10(6-8-13)14-15(16(22)21-19-14)20-18-12-4-2-3-11(17)9-12/h2-9H,1H3,(H2,19,21,22)/b20-18+.
What are the key properties of 4-[(3-chlorophenyl)diazenyl]-5-(4-methoxyphenyl)-1,2-dihydropyrazol-3-one?
4-[(3-chlorophenyl)diazenyl]-5-(4-methoxyphenyl)-1,2-dihydropyrazol-3-one has a molecular weight of 328.76 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)diazenyl]-5-(4-methoxyphenyl)-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 135976643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).