4-(diethylaminodiazenyl)-1,5-dimethyl-2-phenylpyrazol-3-one

C15H21N5O — CID 785550

IUPAC4-(diethylaminodiazenyl)-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCCN(CC)/N=N/c1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C15H21N5O/c1-5-19(6-2)17-16-14-12(3)18(4)20(15(14)21)13-10-8-7-9-11-13/h7-11H,5-6H2,1-4H3/b17-16+
InChIKeySXBYTWVXKHHING-WUKNDPDISA-N
MW287.37 g/mol
LogP2.82
Rot. Bonds5

About 4-(diethylaminodiazenyl)-1,5-dimethyl-2-phenylpyrazol-3-one

4-(diethylaminodiazenyl)-1,5-dimethyl-2-phenylpyrazol-3-one (PubChem CID 785550) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-(diethylaminodiazenyl)-1,5-dimethyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-(diethylaminodiazenyl)-1,5-dimethyl-2-phenylpyrazol-3-one
PubChem CID785550
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name4-(diethylaminodiazenyl)-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCCN(CC)/N=N/c1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C15H21N5O/c1-5-19(6-2)17-16-14-12(3)18(4)20(15(14)21)13-10-8-7-9-11-13/h7-11H,5-6H2,1-4H3/b17-16+
InChIKeySXBYTWVXKHHING-WUKNDPDISA-N
XLogP2.82
TPSA54.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,5-dimethyl-4-(naphthalen-1-ylmethylideneamino)-2-phenylpyrazol-3-one
CID 690763
4-[[2-amino-4-(dimethylamino)phenyl]diazenyl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 15548714
2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-diphenylguanidine
CID 2140220
1,5-dimethyl-4-[(2-methylphenyl)methylideneamino]-2-phenylpyrazol-3-one
CID 4064247
4-[(2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 3091016
4-[(3-bromophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 1098360
4-[(2-fluorophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 710097
4-[(2-bromophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 1286562
4-[[3-amino-2-(benzenesulfonyl)-5-oxo-1H-pyrazol-4-yl]diazenyl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 136912342
1,5-dimethyl-2-phenyl-4-[1,2,2-tris(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)ethyl]pyrazol-3-one
CID 3366535
2-(3-chlorophenyl)-1,5-dimethyl-4-nitrosopyrazol-3-one
CID 13279460
ethyl 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]-3-hydroxy-3-phenylprop-2-enoate
CID 135401816

Frequently Asked Questions

What is the IUPAC name of 4-(diethylaminodiazenyl)-1,5-dimethyl-2-phenylpyrazol-3-one?
The IUPAC name of 4-(diethylaminodiazenyl)-1,5-dimethyl-2-phenylpyrazol-3-one (CID 785550) is 4-(diethylaminodiazenyl)-1,5-dimethyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 4-(diethylaminodiazenyl)-1,5-dimethyl-2-phenylpyrazol-3-one?
The canonical SMILES for 4-(diethylaminodiazenyl)-1,5-dimethyl-2-phenylpyrazol-3-one is CCN(CC)/N=N/c1c(C)n(C)n(-c2ccccc2)c1=O.
What is the InChIKey of 4-(diethylaminodiazenyl)-1,5-dimethyl-2-phenylpyrazol-3-one?
The InChIKey is SXBYTWVXKHHING-WUKNDPDISA-N. The full InChI is InChI=1S/C15H21N5O/c1-5-19(6-2)17-16-14-12(3)18(4)20(15(14)21)13-10-8-7-9-11-13/h7-11H,5-6H2,1-4H3/b17-16+.
What are the key properties of 4-(diethylaminodiazenyl)-1,5-dimethyl-2-phenylpyrazol-3-one?
4-(diethylaminodiazenyl)-1,5-dimethyl-2-phenylpyrazol-3-one has a molecular weight of 287.37 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylaminodiazenyl)-1,5-dimethyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 785550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).