N-(2-hydroxy-4-methylphenyl)-4-(pyrazol-1-ylmethyl)benzamide

C18H17N3O2 — CID 18138231

IUPACN-(2-hydroxy-4-methylphenyl)-4-(pyrazol-1-ylmethyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Cn3cccn3)cc2)c(O)c1
InChIInChI=1S/C18H17N3O2/c1-13-3-8-16(17(22)11-13)20-18(23)15-6-4-14(5-7-15)12-21-10-2-9-19-21/h2-11,22H,12H2,1H3,(H,20,23)
InChIKeyXHQVUVLJLPYRCV-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.20
Rot. Bonds4

About N-(2-hydroxy-4-methylphenyl)-4-(pyrazol-1-ylmethyl)benzamide

N-(2-hydroxy-4-methylphenyl)-4-(pyrazol-1-ylmethyl)benzamide (PubChem CID 18138231) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylphenyl)-4-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylphenyl)-4-(pyrazol-1-ylmethyl)benzamide
PubChem CID18138231
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-(2-hydroxy-4-methylphenyl)-4-(pyrazol-1-ylmethyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Cn3cccn3)cc2)c(O)c1
InChIInChI=1S/C18H17N3O2/c1-13-3-8-16(17(22)11-13)20-18(23)15-6-4-14(5-7-15)12-21-10-2-9-19-21/h2-11,22H,12H2,1H3,(H,20,23)
InChIKeyXHQVUVLJLPYRCV-UHFFFAOYSA-N
XLogP3.20
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-(2-hydroxy-4-methylphenyl)benzamide
CID 60654456
N-(2,4-dimethoxyphenyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 18141970
N-(2-methylsulfonylphenyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 55534682
N-(4-chloro-2,5-dimethoxyphenyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 26022355
N-(2-hydroxy-4-methylphenyl)-4-(methoxymethyl)benzamide
CID 8638574
N-[4-(diethylamino)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 134036419
(2,4-dimethylphenyl) 4-(pyrazol-1-ylmethyl)benzoate
CID 30002423
N-(2-hydroxy-4-methylphenyl)-4-(propanoylamino)benzamide
CID 6458962
N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 56503212
4-(pyrazol-1-ylmethyl)-N-thiophen-3-ylbenzamide
CID 175249041
methyl 5-methyl-2-[4-(pyrazol-1-ylmethyl)benzoyl]oxybenzoate
CID 86890071
N-(2-bromo-4-methylphenyl)-4-[(4-bromopyrazol-1-yl)methyl]benzamide
CID 1014637

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylphenyl)-4-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-(2-hydroxy-4-methylphenyl)-4-(pyrazol-1-ylmethyl)benzamide (CID 18138231) is N-(2-hydroxy-4-methylphenyl)-4-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(2-hydroxy-4-methylphenyl)-4-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-(2-hydroxy-4-methylphenyl)-4-(pyrazol-1-ylmethyl)benzamide is Cc1ccc(NC(=O)c2ccc(Cn3cccn3)cc2)c(O)c1.
What is the InChIKey of N-(2-hydroxy-4-methylphenyl)-4-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is XHQVUVLJLPYRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-13-3-8-16(17(22)11-13)20-18(23)15-6-4-14(5-7-15)12-21-10-2-9-19-21/h2-11,22H,12H2,1H3,(H,20,23).
What are the key properties of N-(2-hydroxy-4-methylphenyl)-4-(pyrazol-1-ylmethyl)benzamide?
N-(2-hydroxy-4-methylphenyl)-4-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 307.35 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylphenyl)-4-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 18138231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).