4-[4-(dimethylamino)phenyl]imino-5-methyl-2-phenylpyrazol-3-one

C18H18N4O — CID 627797

IUPAC4-[4-(dimethylamino)phenyl]imino-5-methyl-2-phenylpyrazol-3-one
SMILESCC1=NN(c2ccccc2)C(=O)/C1=N/c1ccc(N(C)C)cc1
InChIInChI=1S/C18H18N4O/c1-13-17(19-14-9-11-15(12-10-14)21(2)3)18(23)22(20-13)16-7-5-4-6-8-16/h4-12H,1-3H3/b19-17+
InChIKeyASAZWLJLSPILII-HTXNQAPBSA-N
MW306.37 g/mol
LogP3.25
Rot. Bonds3

About 4-[4-(dimethylamino)phenyl]imino-5-methyl-2-phenylpyrazol-3-one

4-[4-(dimethylamino)phenyl]imino-5-methyl-2-phenylpyrazol-3-one (PubChem CID 627797) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenyl]imino-5-methyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-[4-(dimethylamino)phenyl]imino-5-methyl-2-phenylpyrazol-3-one
PubChem CID627797
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name4-[4-(dimethylamino)phenyl]imino-5-methyl-2-phenylpyrazol-3-one
SMILESCC1=NN(c2ccccc2)C(=O)/C1=N/c1ccc(N(C)C)cc1
InChIInChI=1S/C18H18N4O/c1-13-17(19-14-9-11-15(12-10-14)21(2)3)18(23)22(20-13)16-7-5-4-6-8-16/h4-12H,1-3H3/b19-17+
InChIKeyASAZWLJLSPILII-HTXNQAPBSA-N
XLogP3.25
TPSA48.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_fives(89)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-[4-(dimethylamino)phenyl]imino-5-methyl-2-phenylpyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Mci-186
CID 4021
2,4-dihydro-5-methyl-2-phenyl-4-(phenylazo)-3H-pyrazol-3-one
CID 107537
C.I. Solvent Yellow 93
CID 5705091
4,4'-Bis(1-phenyl-3-methyl-5-pyrazolone)
CID 95807
3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-N,N,N-trimethylanilinium chloride
CID 94631
4,5-dihydro-6-methyl-2-phenylpyridazin-3(2H)-one
CID 78330
3,4-Dimethyl-1-phenyl-1H-pyrazol-5(4H)-one
CID 86633
1-(4-fluorophenyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one
CID 702012
(4E)-5,5'-Dimethyl-2,2'-diphenyl-4,4'-bipyrazole-3,3'(2H,2'H)-dione
CID 2825117
(4E)-4-(dimethylaminomethylidene)-5-methyl-2-phenylpyrazol-3-one
CID 2799571
3H-Pyrazol-3-one, 2,4-dihydro-4,4,5-trimethyl-2-phenyl-
CID 136765
2-Pyrazolin-5-one, 4-((dimethylamino)methylene)-3-methyl-1-phenyl-
CID 3034605

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)phenyl]imino-5-methyl-2-phenylpyrazol-3-one?
The IUPAC name of 4-[4-(dimethylamino)phenyl]imino-5-methyl-2-phenylpyrazol-3-one (CID 627797) is 4-[4-(dimethylamino)phenyl]imino-5-methyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 4-[4-(dimethylamino)phenyl]imino-5-methyl-2-phenylpyrazol-3-one?
The canonical SMILES for 4-[4-(dimethylamino)phenyl]imino-5-methyl-2-phenylpyrazol-3-one is CC1=NN(c2ccccc2)C(=O)/C1=N/c1ccc(N(C)C)cc1.
What is the InChIKey of 4-[4-(dimethylamino)phenyl]imino-5-methyl-2-phenylpyrazol-3-one?
The InChIKey is ASAZWLJLSPILII-HTXNQAPBSA-N. The full InChI is InChI=1S/C18H18N4O/c1-13-17(19-14-9-11-15(12-10-14)21(2)3)18(23)22(20-13)16-7-5-4-6-8-16/h4-12H,1-3H3/b19-17+.
What are the key properties of 4-[4-(dimethylamino)phenyl]imino-5-methyl-2-phenylpyrazol-3-one?
4-[4-(dimethylamino)phenyl]imino-5-methyl-2-phenylpyrazol-3-one has a molecular weight of 306.37 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)phenyl]imino-5-methyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 627797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).