4-[[2-amino-4-(dimethylamino)phenyl]diazenyl]-1,5-dimethyl-2-phenylpyrazol-3-one

C19H22N6O — CID 15548714

IUPAC4-[[2-amino-4-(dimethylamino)phenyl]diazenyl]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1c(/N=N/c2ccc(N(C)C)cc2N)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H22N6O/c1-13-18(19(26)25(24(13)4)14-8-6-5-7-9-14)22-21-17-11-10-15(23(2)3)12-16(17)20/h5-12H,20H2,1-4H3/b22-21+
InChIKeyFVPOHQVEODGIPU-QURGRASLSA-N
MW350.43 g/mol
LogP3.55
Rot. Bonds4

About 4-[[2-amino-4-(dimethylamino)phenyl]diazenyl]-1,5-dimethyl-2-phenylpyrazol-3-one

4-[[2-amino-4-(dimethylamino)phenyl]diazenyl]-1,5-dimethyl-2-phenylpyrazol-3-one (PubChem CID 15548714) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 4-[[2-amino-4-(dimethylamino)phenyl]diazenyl]-1,5-dimethyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-[[2-amino-4-(dimethylamino)phenyl]diazenyl]-1,5-dimethyl-2-phenylpyrazol-3-one
PubChem CID15548714
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name4-[[2-amino-4-(dimethylamino)phenyl]diazenyl]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1c(/N=N/c2ccc(N(C)C)cc2N)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H22N6O/c1-13-18(19(26)25(24(13)4)14-8-6-5-7-9-14)22-21-17-11-10-15(23(2)3)12-16(17)20/h5-12H,20H2,1-4H3/b22-21+
InChIKeyFVPOHQVEODGIPU-QURGRASLSA-N
XLogP3.55
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(diethylaminodiazenyl)-1,5-dimethyl-2-phenylpyrazol-3-one
CID 785550
4-[[3-amino-2-(benzenesulfonyl)-5-oxo-1H-pyrazol-4-yl]diazenyl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 136912342
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-3-phenyl-1,3-thiazolidin-4-one
CID 6392025
4-[[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 4045753
1,5-dimethyl-4-[(2-methylphenyl)methylideneamino]-2-phenylpyrazol-3-one
CID 4064247
2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-diphenylguanidine
CID 2140220
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
2-[(5R)-3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 6559364
4-[(2,4-diphenyl-4H-chromen-3-yl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 23735542

Frequently Asked Questions

What is the IUPAC name of 4-[[2-amino-4-(dimethylamino)phenyl]diazenyl]-1,5-dimethyl-2-phenylpyrazol-3-one?
The IUPAC name of 4-[[2-amino-4-(dimethylamino)phenyl]diazenyl]-1,5-dimethyl-2-phenylpyrazol-3-one (CID 15548714) is 4-[[2-amino-4-(dimethylamino)phenyl]diazenyl]-1,5-dimethyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 4-[[2-amino-4-(dimethylamino)phenyl]diazenyl]-1,5-dimethyl-2-phenylpyrazol-3-one?
The canonical SMILES for 4-[[2-amino-4-(dimethylamino)phenyl]diazenyl]-1,5-dimethyl-2-phenylpyrazol-3-one is Cc1c(/N=N/c2ccc(N(C)C)cc2N)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 4-[[2-amino-4-(dimethylamino)phenyl]diazenyl]-1,5-dimethyl-2-phenylpyrazol-3-one?
The InChIKey is FVPOHQVEODGIPU-QURGRASLSA-N. The full InChI is InChI=1S/C19H22N6O/c1-13-18(19(26)25(24(13)4)14-8-6-5-7-9-14)22-21-17-11-10-15(23(2)3)12-16(17)20/h5-12H,20H2,1-4H3/b22-21+.
What are the key properties of 4-[[2-amino-4-(dimethylamino)phenyl]diazenyl]-1,5-dimethyl-2-phenylpyrazol-3-one?
4-[[2-amino-4-(dimethylamino)phenyl]diazenyl]-1,5-dimethyl-2-phenylpyrazol-3-one has a molecular weight of 350.43 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-amino-4-(dimethylamino)phenyl]diazenyl]-1,5-dimethyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 15548714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).