2-(5-cyclohexyl-3-phenyl-1H-pyrazol-4-yl)-N-hydroxyacetamide

C17H21N3O2 — CID 155397195

IUPAC2-(5-cyclohexyl-3-phenyl-1H-pyrazol-4-yl)-N-hydroxyacetamide
SMILESO=C(Cc1c(-c2ccccc2)n[nH]c1C1CCCCC1)NO
InChIInChI=1S/C17H21N3O2/c21-15(20-22)11-14-16(12-7-3-1-4-8-12)18-19-17(14)13-9-5-2-6-10-13/h1,3-4,7-8,13,22H,2,5-6,9-11H2,(H,18,19)(H,20,21)
InChIKeyTXTDJWQHLFPIAQ-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.17
Rot. Bonds4

About 2-(5-cyclohexyl-3-phenyl-1H-pyrazol-4-yl)-N-hydroxyacetamide

2-(5-cyclohexyl-3-phenyl-1H-pyrazol-4-yl)-N-hydroxyacetamide (PubChem CID 155397195) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(5-cyclohexyl-3-phenyl-1H-pyrazol-4-yl)-N-hydroxyacetamide.

Molecular Properties

Compound Name2-(5-cyclohexyl-3-phenyl-1H-pyrazol-4-yl)-N-hydroxyacetamide
PubChem CID155397195
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-(5-cyclohexyl-3-phenyl-1H-pyrazol-4-yl)-N-hydroxyacetamide
SMILESO=C(Cc1c(-c2ccccc2)n[nH]c1C1CCCCC1)NO
InChIInChI=1S/C17H21N3O2/c21-15(20-22)11-14-16(12-7-3-1-4-8-12)18-19-17(14)13-9-5-2-6-10-13/h1,3-4,7-8,13,22H,2,5-6,9-11H2,(H,18,19)(H,20,21)
InChIKeyTXTDJWQHLFPIAQ-UHFFFAOYSA-N
XLogP3.17
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclohexyl-3-phenyl-1H-pyrazol-4-yl)-N-hydroxyacetamide?
The IUPAC name of 2-(5-cyclohexyl-3-phenyl-1H-pyrazol-4-yl)-N-hydroxyacetamide (CID 155397195) is 2-(5-cyclohexyl-3-phenyl-1H-pyrazol-4-yl)-N-hydroxyacetamide.
What is the SMILES notation for 2-(5-cyclohexyl-3-phenyl-1H-pyrazol-4-yl)-N-hydroxyacetamide?
The canonical SMILES for 2-(5-cyclohexyl-3-phenyl-1H-pyrazol-4-yl)-N-hydroxyacetamide is O=C(Cc1c(-c2ccccc2)n[nH]c1C1CCCCC1)NO.
What is the InChIKey of 2-(5-cyclohexyl-3-phenyl-1H-pyrazol-4-yl)-N-hydroxyacetamide?
The InChIKey is TXTDJWQHLFPIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c21-15(20-22)11-14-16(12-7-3-1-4-8-12)18-19-17(14)13-9-5-2-6-10-13/h1,3-4,7-8,13,22H,2,5-6,9-11H2,(H,18,19)(H,20,21).
What are the key properties of 2-(5-cyclohexyl-3-phenyl-1H-pyrazol-4-yl)-N-hydroxyacetamide?
2-(5-cyclohexyl-3-phenyl-1H-pyrazol-4-yl)-N-hydroxyacetamide has a molecular weight of 299.37 g/mol, XLogP of 3.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclohexyl-3-phenyl-1H-pyrazol-4-yl)-N-hydroxyacetamide is sourced from PubChem (CID 155397195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).