3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide

C15H18N4O2 — CID 135517079

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide
SMILESCc1cc(C)n(CCC(=O)N/N=C/c2ccc(O)cc2)n1
InChIInChI=1S/C15H18N4O2/c1-11-9-12(2)19(18-11)8-7-15(21)17-16-10-13-3-5-14(20)6-4-13/h3-6,9-10,20H,7-8H2,1-2H3,(H,17,21)/b16-10+
InChIKeyCXEWVMMISKHAMP-MHWRWJLKSA-N
MW286.34 g/mol
LogP1.75
Rot. Bonds5

About 3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide

3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide (PubChem CID 135517079) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide
PubChem CID135517079
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide
SMILESCc1cc(C)n(CCC(=O)N/N=C/c2ccc(O)cc2)n1
InChIInChI=1S/C15H18N4O2/c1-11-9-12(2)19(18-11)8-7-15(21)17-16-10-13-3-5-14(20)6-4-13/h3-6,9-10,20H,7-8H2,1-2H3,(H,17,21)/b16-10+
InChIKeyCXEWVMMISKHAMP-MHWRWJLKSA-N
XLogP1.75
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-dimethylpyrazol-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide
CID 6882781
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N'-[(E)-(2-hydroxyphenyl)methylidene]propanehydrazide
CID 135517054
N'-[(E)-(2,4-dihydroxyphenyl)methylidene]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanehydrazide
CID 135517055
(e)-3-(3,5-Dimethyl-1h-pyrazol-1-yl)-n'-((2-hydroxynaphthalen-1-yl)methylene)propanehydrazide
CID 135541142
(e)-3-(3,5-Dimethyl-1h-pyrazol-1-yl)-n'-(3-hydroxy-4-methoxybenzylidene)propanehydrazide
CID 6882870
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]propanehydrazide
CID 135650437
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]propanehydrazide
CID 135650461
(3,5-Dimethyl-4-nitro-pyrazol-1-yl)-acetic acid [1-(4-hydroxy-phenyl)-eth-(E)-ylidene]-hydrazide
CID 135517115
3-(1H-1,2,3-Benzotriazol-1-YL)-N'-(4-hydroxybenzylidene)propanohydrazide
CID 135554399
3-(1H-1,2,3-Benzotriazol-1-YL)N'-(1-(4-hydroxyphenyl)ethylidene)propanohydrazide
CID 135641992
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 136912723
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N'-(4-ethoxybenzylidene)acetohydrazide
CID 9557338

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide (CID 135517079) is 3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide is Cc1cc(C)n(CCC(=O)N/N=C/c2ccc(O)cc2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide?
The InChIKey is CXEWVMMISKHAMP-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11-9-12(2)19(18-11)8-7-15(21)17-16-10-13-3-5-14(20)6-4-13/h3-6,9-10,20H,7-8H2,1-2H3,(H,17,21)/b16-10+.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide?
3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide has a molecular weight of 286.34 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide is sourced from PubChem (CID 135517079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).