N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide

C21H20N4O2 — CID 1268478

IUPACN-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
SMILESC=CCc1cccc(C=NNC(=O)c2cccc(Cn3cccn3)c2)c1O
InChIInChI=1S/C21H20N4O2/c1-2-6-17-8-4-10-19(20(17)26)14-22-24-21(27)18-9-3-7-16(13-18)15-25-12-5-11-23-25/h2-5,7-14,26H,1,6,15H2,(H,24,27)
InChIKeyRUMRWOPYZIZMFK-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.13
Rot. Bonds7

About N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide

N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide (PubChem CID 1268478) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
PubChem CID1268478
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
SMILESC=CCc1cccc(C=NNC(=O)c2cccc(Cn3cccn3)c2)c1O
InChIInChI=1S/C21H20N4O2/c1-2-6-17-8-4-10-19(20(17)26)14-22-24-21(27)18-9-3-7-16(13-18)15-25-12-5-11-23-25/h2-5,7-14,26H,1,6,15H2,(H,24,27)
InChIKeyRUMRWOPYZIZMFK-UHFFFAOYSA-N
XLogP3.13
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.13
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-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
CID 135688732
N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
CID 136858110
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]benzamide
CID 3572912
N-[(3-hydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
CID 724894
N-[(3-chlorophenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
CID 725007
3-(pyrazol-1-ylmethyl)-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide
CID 5397773
N-[(6-methyl-2-pyridinyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
CID 724913
3-benzamido-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]benzamide
CID 135957409
N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-3-nitrobenzamide
CID 136663059
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]benzamide
CID 3606086
N-[(4-methoxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
CID 724961
N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide
CID 136742612

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide (CID 1268478) is N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide is C=CCc1cccc(C=NNC(=O)c2cccc(Cn3cccn3)c2)c1O.
What is the InChIKey of N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is RUMRWOPYZIZMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-2-6-17-8-4-10-19(20(17)26)14-22-24-21(27)18-9-3-7-16(13-18)15-25-12-5-11-23-25/h2-5,7-14,26H,1,6,15H2,(H,24,27).
What are the key properties of N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide?
N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 360.42 g/mol, XLogP of 3.13, 7 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]-3-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 1268478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).