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

C13H15N3O2 — CID 37394176

IUPAC2-hydroxy-N-(3-pyrazol-1-ylpropyl)benzamide
SMILESO=C(NCCCn1cccn1)c1ccccc1O
InChIInChI=1S/C13H15N3O2/c17-12-6-2-1-5-11(12)13(18)14-7-3-9-16-10-4-8-15-16/h1-2,4-6,8,10,17H,3,7,9H2,(H,14,18)
InChIKeyDXJUFEWCTSYFPQ-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.41
Rot. Bonds5

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

2-hydroxy-N-(3-pyrazol-1-ylpropyl)benzamide (PubChem CID 37394176) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-hydroxy-N-(3-pyrazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-(3-pyrazol-1-ylpropyl)benzamide
PubChem CID37394176
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-hydroxy-N-(3-pyrazol-1-ylpropyl)benzamide
SMILESO=C(NCCCn1cccn1)c1ccccc1O
InChIInChI=1S/C13H15N3O2/c17-12-6-2-1-5-11(12)13(18)14-7-3-9-16-10-4-8-15-16/h1-2,4-6,8,10,17H,3,7,9H2,(H,14,18)
InChIKeyDXJUFEWCTSYFPQ-UHFFFAOYSA-N
XLogP1.41
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.41
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-N-(3-pyrazol-1-ylpropyl)benzamide?
The IUPAC name of 2-hydroxy-N-(3-pyrazol-1-ylpropyl)benzamide (CID 37394176) is 2-hydroxy-N-(3-pyrazol-1-ylpropyl)benzamide.
What is the SMILES notation for 2-hydroxy-N-(3-pyrazol-1-ylpropyl)benzamide?
The canonical SMILES for 2-hydroxy-N-(3-pyrazol-1-ylpropyl)benzamide is O=C(NCCCn1cccn1)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-(3-pyrazol-1-ylpropyl)benzamide?
The InChIKey is DXJUFEWCTSYFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-12-6-2-1-5-11(12)13(18)14-7-3-9-16-10-4-8-15-16/h1-2,4-6,8,10,17H,3,7,9H2,(H,14,18).
What are the key properties of 2-hydroxy-N-(3-pyrazol-1-ylpropyl)benzamide?
2-hydroxy-N-(3-pyrazol-1-ylpropyl)benzamide has a molecular weight of 245.28 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(3-pyrazol-1-ylpropyl)benzamide is sourced from PubChem (CID 37394176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).