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

C20H22N4O — CID 630574

IUPAC4-[4-(diethylamino)phenyl]imino-5-methyl-2-phenylpyrazol-3-one
SMILESCCN(CC)c1ccc(/N=C2/C(=O)N(c3ccccc3)N=C2C)cc1
InChIInChI=1S/C20H22N4O/c1-4-23(5-2)17-13-11-16(12-14-17)21-19-15(3)22-24(20(19)25)18-9-7-6-8-10-18/h6-14H,4-5H2,1-3H3/b21-19+
InChIKeyGFDSVOCOLWMDEU-XUTLUUPISA-N
MW334.42 g/mol
LogP4.03
Rot. Bonds5

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

4-[4-(diethylamino)phenyl]imino-5-methyl-2-phenylpyrazol-3-one (PubChem CID 630574) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-[4-(diethylamino)phenyl]imino-5-methyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-[4-(diethylamino)phenyl]imino-5-methyl-2-phenylpyrazol-3-one
PubChem CID630574
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name4-[4-(diethylamino)phenyl]imino-5-methyl-2-phenylpyrazol-3-one
SMILESCCN(CC)c1ccc(/N=C2/C(=O)N(c3ccccc3)N=C2C)cc1
InChIInChI=1S/C20H22N4O/c1-4-23(5-2)17-13-11-16(12-14-17)21-19-15(3)22-24(20(19)25)18-9-7-6-8-10-18/h6-14H,4-5H2,1-3H3/b21-19+
InChIKeyGFDSVOCOLWMDEU-XUTLUUPISA-N
XLogP4.03
TPSA48.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.03
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'}

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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
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
2-Pyrazolin-5-one, 4-((dimethylamino)methylene)-3-methyl-1-phenyl-
CID 3034605
1-phenyl-3-propyl-4,5-dihydro-1H-pyrazol-5-one
CID 608697
2-(4-Aminophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one hydrochloride
CID 3017166

Frequently Asked Questions

What is the IUPAC name of 4-[4-(diethylamino)phenyl]imino-5-methyl-2-phenylpyrazol-3-one?
The IUPAC name of 4-[4-(diethylamino)phenyl]imino-5-methyl-2-phenylpyrazol-3-one (CID 630574) is 4-[4-(diethylamino)phenyl]imino-5-methyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 4-[4-(diethylamino)phenyl]imino-5-methyl-2-phenylpyrazol-3-one?
The canonical SMILES for 4-[4-(diethylamino)phenyl]imino-5-methyl-2-phenylpyrazol-3-one is CCN(CC)c1ccc(/N=C2/C(=O)N(c3ccccc3)N=C2C)cc1.
What is the InChIKey of 4-[4-(diethylamino)phenyl]imino-5-methyl-2-phenylpyrazol-3-one?
The InChIKey is GFDSVOCOLWMDEU-XUTLUUPISA-N. The full InChI is InChI=1S/C20H22N4O/c1-4-23(5-2)17-13-11-16(12-14-17)21-19-15(3)22-24(20(19)25)18-9-7-6-8-10-18/h6-14H,4-5H2,1-3H3/b21-19+.
What are the key properties of 4-[4-(diethylamino)phenyl]imino-5-methyl-2-phenylpyrazol-3-one?
4-[4-(diethylamino)phenyl]imino-5-methyl-2-phenylpyrazol-3-one has a molecular weight of 334.42 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(diethylamino)phenyl]imino-5-methyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 630574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).