2-(cyclohexen-1-yl)-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]acetamide

C17H21N3O2 — CID 136516483

IUPAC2-(cyclohexen-1-yl)-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]acetamide
SMILESCc1ccc(-c2[nH]nc(NC(=O)CC3=CCCCC3)c2C)o1
InChIInChI=1S/C17H21N3O2/c1-11-8-9-14(22-11)16-12(2)17(20-19-16)18-15(21)10-13-6-4-3-5-7-13/h6,8-9H,3-5,7,10H2,1-2H3,(H2,18,19,20,21)
InChIKeyGAKRGWAPRJAYRP-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.12
Rot. Bonds4

About 2-(cyclohexen-1-yl)-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]acetamide

2-(cyclohexen-1-yl)-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]acetamide (PubChem CID 136516483) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]acetamide
PubChem CID136516483
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-(cyclohexen-1-yl)-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]acetamide
SMILESCc1ccc(-c2[nH]nc(NC(=O)CC3=CCCCC3)c2C)o1
InChIInChI=1S/C17H21N3O2/c1-11-8-9-14(22-11)16-12(2)17(20-19-16)18-15(21)10-13-6-4-3-5-7-13/h6,8-9H,3-5,7,10H2,1-2H3,(H2,18,19,20,21)
InChIKeyGAKRGWAPRJAYRP-UHFFFAOYSA-N
XLogP4.12
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.12
H-Bond Donors ≤ 52
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 2-(cyclohexen-1-yl)-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]acetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]acetamide (CID 136516483) is 2-(cyclohexen-1-yl)-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]acetamide is Cc1ccc(-c2[nH]nc(NC(=O)CC3=CCCCC3)c2C)o1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]acetamide?
The InChIKey is GAKRGWAPRJAYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-11-8-9-14(22-11)16-12(2)17(20-19-16)18-15(21)10-13-6-4-3-5-7-13/h6,8-9H,3-5,7,10H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 2-(cyclohexen-1-yl)-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]acetamide?
2-(cyclohexen-1-yl)-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]acetamide has a molecular weight of 299.37 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 136516483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).