4-[(E)-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-ethoxyphenol

C19H22N6O2 — CID 135641513

IUPAC4-[(E)-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-ethoxyphenol
SMILESCCOc1cc(/C=N/Nc2cc(C)nc(-n3nc(C)cc3C)n2)ccc1O
InChIInChI=1S/C19H22N6O2/c1-5-27-17-10-15(6-7-16(17)26)11-20-23-18-9-12(2)21-19(22-18)25-14(4)8-13(3)24-25/h6-11,26H,5H2,1-4H3,(H,21,22,23)/b20-11+
InChIKeyZRWQBDNMCSPGLI-RGVLZGJSSA-N
MW366.43 g/mol
LogP3.14
Rot. Bonds6

About 4-[(E)-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-ethoxyphenol

4-[(E)-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-ethoxyphenol (PubChem CID 135641513) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 4-[(E)-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-ethoxyphenol.

Molecular Properties

Compound Name4-[(E)-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-ethoxyphenol
PubChem CID135641513
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name4-[(E)-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-ethoxyphenol
SMILESCCOc1cc(/C=N/Nc2cc(C)nc(-n3nc(C)cc3C)n2)ccc1O
InChIInChI=1S/C19H22N6O2/c1-5-27-17-10-15(6-7-16(17)26)11-20-23-18-9-12(2)21-19(22-18)25-14(4)8-13(3)24-25/h6-11,26H,5H2,1-4H3,(H,21,22,23)/b20-11+
InChIKeyZRWQBDNMCSPGLI-RGVLZGJSSA-N
XLogP3.14
TPSA97.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-Methoxy-4-hydroxybenzaldehyde [1-(phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazone
CID 3805075
FgGpmk1-IN-1
CID 135558907
4-[(4,6-Dimethyl-pyrimidin-2-yl)-hydrazonomethyl]-2-methoxy-phenol
CID 135458671
N-{4-[(2E)-2-(4-hydroxy-3-methoxybenzylidene)hydrazinyl]-6-methylpyrimidin-2-yl}benzenesulfonamide
CID 135549525
5-(4-amino-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-ethoxyphenol
CID 24905197
N-[2-(3,4-diethoxyphenyl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5308243
2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-[(2Z)-2-(2-methoxybenzylidene)hydrazinyl]-6-methylpyrimidine
CID 5903656
2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-6-methylpyrimidine
CID 9607467
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 9665958
N-(4-Ethoxy-3-methoxybenzyl)-5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 16028885
3-Ethoxy-4-hydroxybenzaldehyde (5-phenyl-1,2,4-triazin-3-yl)hydrazone
CID 135439780
(E)-2-((2-(2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl)hydrazono)methyl)-6-methoxyphenol
CID 135455061

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-ethoxyphenol?
The IUPAC name of 4-[(E)-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-ethoxyphenol (CID 135641513) is 4-[(E)-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-ethoxyphenol.
What is the SMILES notation for 4-[(E)-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-ethoxyphenol?
The canonical SMILES for 4-[(E)-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-ethoxyphenol is CCOc1cc(/C=N/Nc2cc(C)nc(-n3nc(C)cc3C)n2)ccc1O.
What is the InChIKey of 4-[(E)-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-ethoxyphenol?
The InChIKey is ZRWQBDNMCSPGLI-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-5-27-17-10-15(6-7-16(17)26)11-20-23-18-9-12(2)21-19(22-18)25-14(4)8-13(3)24-25/h6-11,26H,5H2,1-4H3,(H,21,22,23)/b20-11+.
What are the key properties of 4-[(E)-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-ethoxyphenol?
4-[(E)-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-ethoxyphenol has a molecular weight of 366.43 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-ethoxyphenol is sourced from PubChem (CID 135641513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).