N-(2-cyclohexylpyrazol-3-yl)-2-cyclopent-2-en-1-ylacetamide

C16H23N3O — CID 47008722

IUPACN-(2-cyclohexylpyrazol-3-yl)-2-cyclopent-2-en-1-ylacetamide
SMILESO=C(CC1C=CCC1)Nc1ccnn1C1CCCCC1
InChIInChI=1S/C16H23N3O/c20-16(12-13-6-4-5-7-13)18-15-10-11-17-19(15)14-8-2-1-3-9-14/h4,6,10-11,13-14H,1-3,5,7-9,12H2,(H,18,20)
InChIKeyNFJMKANIKSSQSC-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.68
Rot. Bonds4

About N-(2-cyclohexylpyrazol-3-yl)-2-cyclopent-2-en-1-ylacetamide

N-(2-cyclohexylpyrazol-3-yl)-2-cyclopent-2-en-1-ylacetamide (PubChem CID 47008722) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(2-cyclohexylpyrazol-3-yl)-2-cyclopent-2-en-1-ylacetamide.

Molecular Properties

Compound NameN-(2-cyclohexylpyrazol-3-yl)-2-cyclopent-2-en-1-ylacetamide
PubChem CID47008722
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-(2-cyclohexylpyrazol-3-yl)-2-cyclopent-2-en-1-ylacetamide
SMILESO=C(CC1C=CCC1)Nc1ccnn1C1CCCCC1
InChIInChI=1S/C16H23N3O/c20-16(12-13-6-4-5-7-13)18-15-10-11-17-19(15)14-8-2-1-3-9-14/h4,6,10-11,13-14H,1-3,5,7-9,12H2,(H,18,20)
InChIKeyNFJMKANIKSSQSC-UHFFFAOYSA-N
XLogP3.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylpyrazol-3-yl)-2-cyclopent-2-en-1-ylacetamide?
The IUPAC name of N-(2-cyclohexylpyrazol-3-yl)-2-cyclopent-2-en-1-ylacetamide (CID 47008722) is N-(2-cyclohexylpyrazol-3-yl)-2-cyclopent-2-en-1-ylacetamide.
What is the SMILES notation for N-(2-cyclohexylpyrazol-3-yl)-2-cyclopent-2-en-1-ylacetamide?
The canonical SMILES for N-(2-cyclohexylpyrazol-3-yl)-2-cyclopent-2-en-1-ylacetamide is O=C(CC1C=CCC1)Nc1ccnn1C1CCCCC1.
What is the InChIKey of N-(2-cyclohexylpyrazol-3-yl)-2-cyclopent-2-en-1-ylacetamide?
The InChIKey is NFJMKANIKSSQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c20-16(12-13-6-4-5-7-13)18-15-10-11-17-19(15)14-8-2-1-3-9-14/h4,6,10-11,13-14H,1-3,5,7-9,12H2,(H,18,20).
What are the key properties of N-(2-cyclohexylpyrazol-3-yl)-2-cyclopent-2-en-1-ylacetamide?
N-(2-cyclohexylpyrazol-3-yl)-2-cyclopent-2-en-1-ylacetamide has a molecular weight of 273.38 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylpyrazol-3-yl)-2-cyclopent-2-en-1-ylacetamide is sourced from PubChem (CID 47008722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).