N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide

C15H18N4O3 — CID 135457628

IUPACN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
SMILESCc1n[nH]c(C)c1CCC(=O)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C15H18N4O3/c1-9-13(10(2)18-17-9)5-6-15(22)19-16-8-11-3-4-12(20)7-14(11)21/h3-4,7-8,20-21H,5-6H2,1-2H3,(H,17,18)(H,19,22)/b16-8+
InChIKeyQQWWVOYCSSRQNW-LZYBPNLTSA-N
MW302.33 g/mol
LogP1.52
Rot. Bonds5

About N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide

N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide (PubChem CID 135457628) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
PubChem CID135457628
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
SMILESCc1n[nH]c(C)c1CCC(=O)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C15H18N4O3/c1-9-13(10(2)18-17-9)5-6-15(22)19-16-8-11-3-4-12(20)7-14(11)21/h3-4,7-8,20-21H,5-6H2,1-2H3,(H,17,18)(H,19,22)/b16-8+
InChIKeyQQWWVOYCSSRQNW-LZYBPNLTSA-N
XLogP1.52
TPSA110.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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-tert-butyl-N'-(2,4-dihydroxybenzylidene)-1H-pyrazole-5-carbohydrazide
CID 135411687
N'-[(E)-(2,4-dihydroxyphenyl)methylidene]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanehydrazide
CID 135517055
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N'-(2,3,4-trimethoxybenzylidene)propanohydrazide
CID 5450504
3-cyclopropyl-N-[(E)-(2,4-dihydroxyphenyl)methyleneamino]-1H-pyrazole-5-carboxamide
CID 135519131
(E)-N'-(2,4-dihydroxybenzylidene)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 135489114
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N'-[(E)-(2-hydroxyphenyl)methylidene]propanehydrazide
CID 135519133
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 136912723
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-hydroxyphenyl)methylideneamino]propanamide
CID 687583
N'-(2,4-dihydroxy-6-methylbenzylidene)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 135411614
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-(2-methoxyphenyl)methylideneamino]propanamide
CID 5342946
(E)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N'-(4-hydroxybenzylidene)propanehydrazide
CID 135457664
N-[(2,4-dihydroxyphenyl)methylideneamino]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 2049001

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide (CID 135457628) is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The canonical SMILES for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide is Cc1n[nH]c(C)c1CCC(=O)N/N=C/c1ccc(O)cc1O.
What is the InChIKey of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The InChIKey is QQWWVOYCSSRQNW-LZYBPNLTSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-9-13(10(2)18-17-9)5-6-15(22)19-16-8-11-3-4-12(20)7-14(11)21/h3-4,7-8,20-21H,5-6H2,1-2H3,(H,17,18)(H,19,22)/b16-8+.
What are the key properties of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide has a molecular weight of 302.33 g/mol, XLogP of 1.52, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 135457628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).