3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide

C15H18N4O2 — CID 136912723

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide
SMILESCc1n[nH]c(C)c1CCC(=O)N/N=C\c1ccc(O)cc1
InChIInChI=1S/C15H18N4O2/c1-10-14(11(2)18-17-10)7-8-15(21)19-16-9-12-3-5-13(20)6-4-12/h3-6,9,20H,7-8H2,1-2H3,(H,17,18)(H,19,21)/b16-9-
InChIKeyVIFXIEVUAGSVFB-SXGWCWSVSA-N
MW286.33 g/mol
LogP1.82
Rot. Bonds5

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide (PubChem CID 136912723) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide
PubChem CID136912723
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide
SMILESCc1n[nH]c(C)c1CCC(=O)N/N=C\c1ccc(O)cc1
InChIInChI=1S/C15H18N4O2/c1-10-14(11(2)18-17-10)7-8-15(21)19-16-9-12-3-5-13(20)6-4-12/h3-6,9,20H,7-8H2,1-2H3,(H,17,18)(H,19,21)/b16-9-
InChIKeyVIFXIEVUAGSVFB-SXGWCWSVSA-N
XLogP1.82
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.82
H-Bond Donors ≤ 53
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

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-(3-methoxyphenyl)methylideneamino]propanamide
CID 5342804
(E)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N'-(4-hydroxy-3-methoxybenzylidene)propanehydrazide
CID 135476871
N'-[(E)-(2,4-dihydroxyphenyl)methylidene]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanohydrazide
CID 135457628
(E)-3-cyclopropyl-N'-(4-hydroxybenzylidene)-1H-pyrazole-5-carbohydrazide
CID 135457660
N'-(4-Hydroxybenzylidene)-3-isopropyl-1H-pyrazole-5-carbohydrazide
CID 135659464
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]propanamide
CID 5342725
(E)-N'-(3,4-dimethoxybenzylidene)-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanehydrazide
CID 6862008
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N'-[(E)-(4-hydroxyphenyl)methylidene]propanehydrazide
CID 135517079
4-[(E)-2-(5-methyl-1H-pyrazol-3-yl)ethenyl]phenol
CID 135991588
N'-(1-(4-Hydroxyphenyl)ethylidene)-3-isopropyl-1H-pyrazole-5-carbohydrazide
CID 135641965
4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenol
CID 2763727
(E)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N'-(4-hydroxybenzylidene)propanehydrazide
CID 135457664

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide (CID 136912723) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide is Cc1n[nH]c(C)c1CCC(=O)N/N=C\c1ccc(O)cc1.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide?
The InChIKey is VIFXIEVUAGSVFB-SXGWCWSVSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10-14(11(2)18-17-10)7-8-15(21)19-16-9-12-3-5-13(20)6-4-12/h3-6,9,20H,7-8H2,1-2H3,(H,17,18)(H,19,21)/b16-9-.
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide has a molecular weight of 286.33 g/mol, XLogP of 1.82, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide is sourced from PubChem (CID 136912723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).