N-[(4-hydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide

C18H16N4O2 — CID 724970

IUPACN-[(4-hydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
SMILESO=C(NN=Cc1ccc(O)cc1)c1cccc(Cn2cccn2)c1
InChIInChI=1S/C18H16N4O2/c23-17-7-5-14(6-8-17)12-19-21-18(24)16-4-1-3-15(11-16)13-22-10-2-9-20-22/h1-12,23H,13H2,(H,21,24)
InChIKeyASQYDVDSOPWHCO-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.40
Rot. Bonds5

About N-[(4-hydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide

N-[(4-hydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide (PubChem CID 724970) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
PubChem CID724970
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC NameN-[(4-hydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
SMILESO=C(NN=Cc1ccc(O)cc1)c1cccc(Cn2cccn2)c1
InChIInChI=1S/C18H16N4O2/c23-17-7-5-14(6-8-17)12-19-21-18(24)16-4-1-3-15(11-16)13-22-10-2-9-20-22/h1-12,23H,13H2,(H,21,24)
InChIKeyASQYDVDSOPWHCO-UHFFFAOYSA-N
XLogP2.40
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.40
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

N-[(E)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide
CID 6890491
N'-{3-[(4-chloro-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}-2-hydroxybenzohydrazide
CID 6873961
2-hydroxy-5-methyl-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37394414
(E)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-hydroxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 44569669
(E)-N-[(E)-benzylideneamino]-2-(4-hydroxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 44569670
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-pyrrol-1-ylbenzamide
CID 135886418
(E)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 135960778
N'-(2,4-dihydroxybenzylidene)-4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzohydrazide
CID 135533865
n-(3-(1h-Pyrazol-1-yl)propyl)-2-hydroxybenzamide
CID 37394176
2,6-Difluoro-3-[1-[[4-hydroxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide
CID 156654516
(z)-N'-((1,3-diphenyl-1h-pyrazol-4-yl)methylene)-2-hydroxybenzohydrazide
CID 5946807
N-[(Z)-[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methylideneamino]-4-hydroxybenzamide
CID 9072904

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[(4-hydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide (CID 724970) is N-[(4-hydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide is O=C(NN=Cc1ccc(O)cc1)c1cccc(Cn2cccn2)c1.
What is the InChIKey of N-[(4-hydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is ASQYDVDSOPWHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c23-17-7-5-14(6-8-17)12-19-21-18(24)16-4-1-3-15(11-16)13-22-10-2-9-20-22/h1-12,23H,13H2,(H,21,24).
What are the key properties of N-[(4-hydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide?
N-[(4-hydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 320.35 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 724970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).