N-(2-hydroxy-5-phenylphenyl)-4-[(2-pyrazol-1-ylethylamino)methyl]benzamide

C25H24N4O2 — CID 59627354

IUPACN-(2-hydroxy-5-phenylphenyl)-4-[(2-pyrazol-1-ylethylamino)methyl]benzamide
SMILESO=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(CNCCn2cccn2)cc1
InChIInChI=1S/C25H24N4O2/c30-24-12-11-22(20-5-2-1-3-6-20)17-23(24)28-25(31)21-9-7-19(8-10-21)18-26-14-16-29-15-4-13-27-29/h1-13,15,17,26,30H,14,16,18H2,(H,28,31)
InChIKeyQYSTWDXXJHBMGG-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.30
Rot. Bonds8

About N-(2-hydroxy-5-phenylphenyl)-4-[(2-pyrazol-1-ylethylamino)methyl]benzamide

N-(2-hydroxy-5-phenylphenyl)-4-[(2-pyrazol-1-ylethylamino)methyl]benzamide (PubChem CID 59627354) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-(2-hydroxy-5-phenylphenyl)-4-[(2-pyrazol-1-ylethylamino)methyl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-phenylphenyl)-4-[(2-pyrazol-1-ylethylamino)methyl]benzamide
PubChem CID59627354
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC NameN-(2-hydroxy-5-phenylphenyl)-4-[(2-pyrazol-1-ylethylamino)methyl]benzamide
SMILESO=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(CNCCn2cccn2)cc1
InChIInChI=1S/C25H24N4O2/c30-24-12-11-22(20-5-2-1-3-6-20)17-23(24)28-25(31)21-9-7-19(8-10-21)18-26-14-16-29-15-4-13-27-29/h1-13,15,17,26,30H,14,16,18H2,(H,28,31)
InChIKeyQYSTWDXXJHBMGG-UHFFFAOYSA-N
XLogP4.30
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-5-phenylphenyl)-4-{[(pyridin-3-ylmethyl)amino]methyl}benzamide
CID 25159049
N-(2-hydroxy-5-phenylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide
CID 25159052
N-(2-hydroxy-5-phenylphenyl)-4-({[1-(pyridin-4-yl)ethyl]amino}methyl)benzamide
CID 25218547
N-(2-hydroxy-5-phenylphenyl)-4-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]benzamide
CID 59627285
N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(pyridin-4-yl)amino]methyl]benzamide
CID 59627337
N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]benzamide
CID 59627347
N-(2-hydroxy-5-phenylphenyl)-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzamide
CID 59627351
N-(2-hydroxy-5-phenylphenyl)-4-[(3-pyridin-4-ylpropylamino)methyl]benzamide
CID 68726934
N-(2-hydroxy-5-methylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide
CID 25218548
N-(2-hydroxy-5-phenylphenyl)-4-[(2-pyridin-3-ylethylamino)methyl]benzamide
CID 68724179
(E)-N-[(E)-benzylideneamino]-2-(4-hydroxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 44569670
(E)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 135960778

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-phenylphenyl)-4-[(2-pyrazol-1-ylethylamino)methyl]benzamide?
The IUPAC name of N-(2-hydroxy-5-phenylphenyl)-4-[(2-pyrazol-1-ylethylamino)methyl]benzamide (CID 59627354) is N-(2-hydroxy-5-phenylphenyl)-4-[(2-pyrazol-1-ylethylamino)methyl]benzamide.
What is the SMILES notation for N-(2-hydroxy-5-phenylphenyl)-4-[(2-pyrazol-1-ylethylamino)methyl]benzamide?
The canonical SMILES for N-(2-hydroxy-5-phenylphenyl)-4-[(2-pyrazol-1-ylethylamino)methyl]benzamide is O=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(CNCCn2cccn2)cc1.
What is the InChIKey of N-(2-hydroxy-5-phenylphenyl)-4-[(2-pyrazol-1-ylethylamino)methyl]benzamide?
The InChIKey is QYSTWDXXJHBMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c30-24-12-11-22(20-5-2-1-3-6-20)17-23(24)28-25(31)21-9-7-19(8-10-21)18-26-14-16-29-15-4-13-27-29/h1-13,15,17,26,30H,14,16,18H2,(H,28,31).
What are the key properties of N-(2-hydroxy-5-phenylphenyl)-4-[(2-pyrazol-1-ylethylamino)methyl]benzamide?
N-(2-hydroxy-5-phenylphenyl)-4-[(2-pyrazol-1-ylethylamino)methyl]benzamide has a molecular weight of 412.49 g/mol, XLogP of 4.30, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-phenylphenyl)-4-[(2-pyrazol-1-ylethylamino)methyl]benzamide is sourced from PubChem (CID 59627354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).