4-[4-[ethyl(2-hydroxyethyl)amino]phenyl]imino-5-methyl-2-phenylpyrazol-3-one

C20H22N4O2 — CID 14549854

IUPAC4-[4-[ethyl(2-hydroxyethyl)amino]phenyl]imino-5-methyl-2-phenylpyrazol-3-one
SMILESCCN(CCO)c1ccc(/N=C2/C(=O)N(c3ccccc3)N=C2C)cc1
InChIInChI=1S/C20H22N4O2/c1-3-23(13-14-25)17-11-9-16(10-12-17)21-19-15(2)22-24(20(19)26)18-7-5-4-6-8-18/h4-12,25H,3,13-14H2,1-2H3/b21-19+
InChIKeyZPLHLPMKARGPMP-XUTLUUPISA-N
MW350.42 g/mol
LogP3.00
Rot. Bonds6

About 4-[4-[ethyl(2-hydroxyethyl)amino]phenyl]imino-5-methyl-2-phenylpyrazol-3-one

4-[4-[ethyl(2-hydroxyethyl)amino]phenyl]imino-5-methyl-2-phenylpyrazol-3-one (PubChem CID 14549854) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-[4-[ethyl(2-hydroxyethyl)amino]phenyl]imino-5-methyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-[4-[ethyl(2-hydroxyethyl)amino]phenyl]imino-5-methyl-2-phenylpyrazol-3-one
PubChem CID14549854
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name4-[4-[ethyl(2-hydroxyethyl)amino]phenyl]imino-5-methyl-2-phenylpyrazol-3-one
SMILESCCN(CCO)c1ccc(/N=C2/C(=O)N(c3ccccc3)N=C2C)cc1
InChIInChI=1S/C20H22N4O2/c1-3-23(13-14-25)17-11-9-16(10-12-17)21-19-15(2)22-24(20(19)26)18-7-5-4-6-8-18/h4-12,25H,3,13-14H2,1-2H3/b21-19+
InChIKeyZPLHLPMKARGPMP-XUTLUUPISA-N
XLogP3.00
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[2-[N-ethyl-3-methyl-4-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)amino]anilino]ethyl]methanesulfonamide
CID 27274822
4-[4-(dimethylamino)phenyl]imino-2-(3,4-dimethylphenyl)-5-methylpyrazol-3-one
CID 17354322
ethyl 4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]benzoate
CID 71344599
[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)amino] 2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetate
CID 74020669
(4Z)-4-[1-(dimethylamino)ethylidene]-5-methyl-2-phenylpyrazol-3-one
CID 177488146
3-[4-(diethylamino)phenyl]imino-2-methyl-5,6-di(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-one
CID 58584051
(4E)-4-(diethylaminomethylidene)-5-methyl-2-phenylpyrazol-3-one
CID 6383687
5-methyl-2-phenyl-4-(2,4,6-trimethoxyphenyl)iminopyrazol-3-one
CID 91743625
4-[[4-(diethylamino)phenyl]methylidene]-5-(dimethylamino)-2-phenylpyrazol-3-one
CID 54550339
2-(N-ethylanilino)ethanol;2-(N-ethyl-3-methylanilino)ethanol
CID 67646691
3-[N-(2-cyanoethyl)-4-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]anilino]propanenitrile
CID 98514141
N,N-diethyl-4-[(5-imino-1-phenylpyrazol-4-ylidene)amino]aniline
CID 21222868

Frequently Asked Questions

What is the IUPAC name of 4-[4-[ethyl(2-hydroxyethyl)amino]phenyl]imino-5-methyl-2-phenylpyrazol-3-one?
The IUPAC name of 4-[4-[ethyl(2-hydroxyethyl)amino]phenyl]imino-5-methyl-2-phenylpyrazol-3-one (CID 14549854) is 4-[4-[ethyl(2-hydroxyethyl)amino]phenyl]imino-5-methyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 4-[4-[ethyl(2-hydroxyethyl)amino]phenyl]imino-5-methyl-2-phenylpyrazol-3-one?
The canonical SMILES for 4-[4-[ethyl(2-hydroxyethyl)amino]phenyl]imino-5-methyl-2-phenylpyrazol-3-one is CCN(CCO)c1ccc(/N=C2/C(=O)N(c3ccccc3)N=C2C)cc1.
What is the InChIKey of 4-[4-[ethyl(2-hydroxyethyl)amino]phenyl]imino-5-methyl-2-phenylpyrazol-3-one?
The InChIKey is ZPLHLPMKARGPMP-XUTLUUPISA-N. The full InChI is InChI=1S/C20H22N4O2/c1-3-23(13-14-25)17-11-9-16(10-12-17)21-19-15(2)22-24(20(19)26)18-7-5-4-6-8-18/h4-12,25H,3,13-14H2,1-2H3/b21-19+.
What are the key properties of 4-[4-[ethyl(2-hydroxyethyl)amino]phenyl]imino-5-methyl-2-phenylpyrazol-3-one?
4-[4-[ethyl(2-hydroxyethyl)amino]phenyl]imino-5-methyl-2-phenylpyrazol-3-one has a molecular weight of 350.42 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[ethyl(2-hydroxyethyl)amino]phenyl]imino-5-methyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 14549854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).