2-phenoxy-N-(4-pyrazol-1-ylcyclohexyl)acetamide

C17H21N3O2 — CID 126851732

IUPAC2-phenoxy-N-(4-pyrazol-1-ylcyclohexyl)acetamide
SMILESO=C(COc1ccccc1)NC1CCC(n2cccn2)CC1
InChIInChI=1S/C17H21N3O2/c21-17(13-22-16-5-2-1-3-6-16)19-14-7-9-15(10-8-14)20-12-4-11-18-20/h1-6,11-12,14-15H,7-10,13H2,(H,19,21)
InChIKeyJZNTULWZALFJAE-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.56
Rot. Bonds5

About 2-phenoxy-N-(4-pyrazol-1-ylcyclohexyl)acetamide

2-phenoxy-N-(4-pyrazol-1-ylcyclohexyl)acetamide (PubChem CID 126851732) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-phenoxy-N-(4-pyrazol-1-ylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-phenoxy-N-(4-pyrazol-1-ylcyclohexyl)acetamide
PubChem CID126851732
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-phenoxy-N-(4-pyrazol-1-ylcyclohexyl)acetamide
SMILESO=C(COc1ccccc1)NC1CCC(n2cccn2)CC1
InChIInChI=1S/C17H21N3O2/c21-17(13-22-16-5-2-1-3-6-16)19-14-7-9-15(10-8-14)20-12-4-11-18-20/h1-6,11-12,14-15H,7-10,13H2,(H,19,21)
InChIKeyJZNTULWZALFJAE-UHFFFAOYSA-N
XLogP2.56
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-(4-pyrazol-1-ylcyclohexyl)acetamide?
The IUPAC name of 2-phenoxy-N-(4-pyrazol-1-ylcyclohexyl)acetamide (CID 126851732) is 2-phenoxy-N-(4-pyrazol-1-ylcyclohexyl)acetamide.
What is the SMILES notation for 2-phenoxy-N-(4-pyrazol-1-ylcyclohexyl)acetamide?
The canonical SMILES for 2-phenoxy-N-(4-pyrazol-1-ylcyclohexyl)acetamide is O=C(COc1ccccc1)NC1CCC(n2cccn2)CC1.
What is the InChIKey of 2-phenoxy-N-(4-pyrazol-1-ylcyclohexyl)acetamide?
The InChIKey is JZNTULWZALFJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c21-17(13-22-16-5-2-1-3-6-16)19-14-7-9-15(10-8-14)20-12-4-11-18-20/h1-6,11-12,14-15H,7-10,13H2,(H,19,21).
What are the key properties of 2-phenoxy-N-(4-pyrazol-1-ylcyclohexyl)acetamide?
2-phenoxy-N-(4-pyrazol-1-ylcyclohexyl)acetamide has a molecular weight of 299.37 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-(4-pyrazol-1-ylcyclohexyl)acetamide is sourced from PubChem (CID 126851732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).