2-hydroxy-5-methyl-N-(3-pyrazol-1-ylpropyl)benzamide

C14H17N3O2 — CID 37394414

IUPAC2-hydroxy-5-methyl-N-(3-pyrazol-1-ylpropyl)benzamide
SMILESCc1ccc(O)c(C(=O)NCCCn2cccn2)c1
InChIInChI=1S/C14H17N3O2/c1-11-4-5-13(18)12(10-11)14(19)15-6-2-8-17-9-3-7-16-17/h3-5,7,9-10,18H,2,6,8H2,1H3,(H,15,19)
InChIKeyCADNSJANXFONJI-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.72
Rot. Bonds5

About 2-hydroxy-5-methyl-N-(3-pyrazol-1-ylpropyl)benzamide

2-hydroxy-5-methyl-N-(3-pyrazol-1-ylpropyl)benzamide (PubChem CID 37394414) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-hydroxy-5-methyl-N-(3-pyrazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-5-methyl-N-(3-pyrazol-1-ylpropyl)benzamide
PubChem CID37394414
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-hydroxy-5-methyl-N-(3-pyrazol-1-ylpropyl)benzamide
SMILESCc1ccc(O)c(C(=O)NCCCn2cccn2)c1
InChIInChI=1S/C14H17N3O2/c1-11-4-5-13(18)12(10-11)14(19)15-6-2-8-17-9-3-7-16-17/h3-5,7,9-10,18H,2,6,8H2,1H3,(H,15,19)
InChIKeyCADNSJANXFONJI-UHFFFAOYSA-N
XLogP1.72
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methyl-N-(3-pyrazol-1-ylpropyl)benzamide?
The IUPAC name of 2-hydroxy-5-methyl-N-(3-pyrazol-1-ylpropyl)benzamide (CID 37394414) is 2-hydroxy-5-methyl-N-(3-pyrazol-1-ylpropyl)benzamide.
What is the SMILES notation for 2-hydroxy-5-methyl-N-(3-pyrazol-1-ylpropyl)benzamide?
The canonical SMILES for 2-hydroxy-5-methyl-N-(3-pyrazol-1-ylpropyl)benzamide is Cc1ccc(O)c(C(=O)NCCCn2cccn2)c1.
What is the InChIKey of 2-hydroxy-5-methyl-N-(3-pyrazol-1-ylpropyl)benzamide?
The InChIKey is CADNSJANXFONJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-11-4-5-13(18)12(10-11)14(19)15-6-2-8-17-9-3-7-16-17/h3-5,7,9-10,18H,2,6,8H2,1H3,(H,15,19).
What are the key properties of 2-hydroxy-5-methyl-N-(3-pyrazol-1-ylpropyl)benzamide?
2-hydroxy-5-methyl-N-(3-pyrazol-1-ylpropyl)benzamide has a molecular weight of 259.31 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methyl-N-(3-pyrazol-1-ylpropyl)benzamide is sourced from PubChem (CID 37394414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).