N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide

C16H18N4O2 — CID 936942

IUPACN-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide
SMILESC=CCc1cccc(C=NNC(=O)Cn2nccc2C)c1O
InChIInChI=1S/C16H18N4O2/c1-3-5-13-6-4-7-14(16(13)22)10-17-19-15(21)11-20-12(2)8-9-18-20/h3-4,6-10,22H,1,5,11H2,2H3,(H,19,21)
InChIKeyKMFKNULYQFAXRB-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.78
Rot. Bonds6

About N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide

N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide (PubChem CID 936942) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide
PubChem CID936942
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide
SMILESC=CCc1cccc(C=NNC(=O)Cn2nccc2C)c1O
InChIInChI=1S/C16H18N4O2/c1-3-5-13-6-4-7-14(16(13)22)10-17-19-15(21)11-20-12(2)8-9-18-20/h3-4,6-10,22H,1,5,11H2,2H3,(H,19,21)
InChIKeyKMFKNULYQFAXRB-UHFFFAOYSA-N
XLogP1.78
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(benzylideneamino)-2-(5-methylpyrazol-1-yl)acetamide
CID 840866
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide
CID 135781995
N-[(E)-furan-2-ylmethylideneamino]-2-(5-methylpyrazol-1-yl)acetamide
CID 6880038
N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 136662942
2-(dimethylsulfamoylamino)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 135822145
N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 5213050
2-(4-benzoylpiperazin-1-yl)-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 137013176
2-anilino-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 135490294
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]propanamide
CID 847669
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]benzamide
CID 3606086
N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide
CID 136742612
2-chloro-N-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 135615945

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide (CID 936942) is N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide is C=CCc1cccc(C=NNC(=O)Cn2nccc2C)c1O.
What is the InChIKey of N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide?
The InChIKey is KMFKNULYQFAXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-3-5-13-6-4-7-14(16(13)22)10-17-19-15(21)11-20-12(2)8-9-18-20/h3-4,6-10,22H,1,5,11H2,2H3,(H,19,21).
What are the key properties of N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide?
N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide has a molecular weight of 298.35 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 936942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).