N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide

C14H16N4O3 — CID 135521455

IUPACN-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide
SMILESC/C(=N/NC(=O)Cc1c(C)[nH][nH]c1=O)c1ccc(O)cc1
InChIInChI=1S/C14H16N4O3/c1-8(10-3-5-11(19)6-4-10)15-17-13(20)7-12-9(2)16-18-14(12)21/h3-6,19H,7H2,1-2H3,(H,17,20)(H2,16,18,21)/b15-8-
InChIKeyYPGSIQWCMDLPLB-NVNXTCNLSA-N
MW288.31 g/mol
LogP0.80
Rot. Bonds4

About N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide

N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide (PubChem CID 135521455) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide
PubChem CID135521455
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC NameN-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide
SMILESC/C(=N/NC(=O)Cc1c(C)[nH][nH]c1=O)c1ccc(O)cc1
InChIInChI=1S/C14H16N4O3/c1-8(10-3-5-11(19)6-4-10)15-17-13(20)7-12-9(2)16-18-14(12)21/h3-6,19H,7H2,1-2H3,(H,17,20)(H2,16,18,21)/b15-8-
InChIKeyYPGSIQWCMDLPLB-NVNXTCNLSA-N
XLogP0.80
TPSA110.34 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

N'-[(1E)-1-(3-methoxyphenyl)ethylidene]-2-(5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)acetohydrazide
CID 9671765
6-(4-Hydroxyphenyl)pyridazin-3(2H)-one
CID 135590629
N'-[(E)-(4-hydroxyphenyl)methylidene]-6-oxo-1,6-dihydropyridazine-3-carbohydrazide
CID 135656287
5-Ethyl-4-[(4-hydroxyphenyl)methyl]-2,3-dihydro-1h-pyrazol-3-one
CID 129839372
3(2H)-Pyridazinone, 4-amino-6-(4-hydroxyphenyl)-
CID 136241347
5-(4-Hydroxybenzylidene)-6-methyl-4,5-dihydropyridazin-3(2h)-one
CID 162369797
N-[1-(4-hydroxyphenyl)ethylideneamino]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide
CID 687755
N-[1-(3-methoxyphenyl)ethylideneamino]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide
CID 4460267
N'-(4-hydroxybenzylidene)-6-oxo-1,6-dihydro-3-pyridazinecarbohydrazide
CID 135411587
N'-(4-HO-Benzylidene)-2-(3-ME-5-oxo-4,5-dihydro-1H-pyrazol-4-YL)acetohydrazide
CID 135451379
N'-[1-(4-hydroxyphenyl)ethylidene]hexanohydrazide
CID 135458735
N'-[1-(2-hydroxyphenyl)ethylidene]-6-oxo-1,6-dihydro-3-pyridazinecarbohydrazide
CID 135492290

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide?
The IUPAC name of N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide (CID 135521455) is N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide.
What is the SMILES notation for N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide?
The canonical SMILES for N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide is C/C(=N/NC(=O)Cc1c(C)[nH][nH]c1=O)c1ccc(O)cc1.
What is the InChIKey of N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide?
The InChIKey is YPGSIQWCMDLPLB-NVNXTCNLSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-8(10-3-5-11(19)6-4-10)15-17-13(20)7-12-9(2)16-18-14(12)21/h3-6,19H,7H2,1-2H3,(H,17,20)(H2,16,18,21)/b15-8-.
What are the key properties of N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide?
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide has a molecular weight of 288.31 g/mol, XLogP of 0.80, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide is sourced from PubChem (CID 135521455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).