2-(2-cyclohexylpyrazol-2-ium-1-yl)-N-methylpropanamide;yttrium

C13H22N3OY+ — CID 158726755

IUPAC2-(2-cyclohexylpyrazol-2-ium-1-yl)-N-methylpropanamide;yttrium
SMILESCNC(=O)C(C)n1ccc[n+]1C1CCCCC1.[Y]
InChIInChI=1S/C13H21N3O.Y/c1-11(13(17)14-2)15-9-6-10-16(15)12-7-4-3-5-8-12;/h6,9-12H,3-5,7-8H2,1-2H3;/p+1
InChIKeyLWCYCIPZFUGPLV-UHFFFAOYSA-O
MW325.25 g/mol
LogP1.59
Rot. Bonds3

About 2-(2-cyclohexylpyrazol-2-ium-1-yl)-N-methylpropanamide;yttrium

2-(2-cyclohexylpyrazol-2-ium-1-yl)-N-methylpropanamide;yttrium (PubChem CID 158726755) has the molecular formula C13H22N3OY+ and a molecular weight of 325.25 g/mol. Its IUPAC name is 2-(2-cyclohexylpyrazol-2-ium-1-yl)-N-methylpropanamide;yttrium.

Molecular Properties

Compound Name2-(2-cyclohexylpyrazol-2-ium-1-yl)-N-methylpropanamide;yttrium
PubChem CID158726755
Molecular FormulaC13H22N3OY+
Molecular Weight325.25 g/mol
Exact Mass325.08
IUPAC Name2-(2-cyclohexylpyrazol-2-ium-1-yl)-N-methylpropanamide;yttrium
SMILESCNC(=O)C(C)n1ccc[n+]1C1CCCCC1.[Y]
InChIInChI=1S/C13H21N3O.Y/c1-11(13(17)14-2)15-9-6-10-16(15)12-7-4-3-5-8-12;/h6,9-12H,3-5,7-8H2,1-2H3;/p+1
InChIKeyLWCYCIPZFUGPLV-UHFFFAOYSA-O
XLogP1.59
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylpyrazol-2-ium-1-yl)-N-methylpropanamide;yttrium?
The IUPAC name of 2-(2-cyclohexylpyrazol-2-ium-1-yl)-N-methylpropanamide;yttrium (CID 158726755) is 2-(2-cyclohexylpyrazol-2-ium-1-yl)-N-methylpropanamide;yttrium.
What is the SMILES notation for 2-(2-cyclohexylpyrazol-2-ium-1-yl)-N-methylpropanamide;yttrium?
The canonical SMILES for 2-(2-cyclohexylpyrazol-2-ium-1-yl)-N-methylpropanamide;yttrium is CNC(=O)C(C)n1ccc[n+]1C1CCCCC1.[Y].
What is the InChIKey of 2-(2-cyclohexylpyrazol-2-ium-1-yl)-N-methylpropanamide;yttrium?
The InChIKey is LWCYCIPZFUGPLV-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H21N3O.Y/c1-11(13(17)14-2)15-9-6-10-16(15)12-7-4-3-5-8-12;/h6,9-12H,3-5,7-8H2,1-2H3;/p+1.
What are the key properties of 2-(2-cyclohexylpyrazol-2-ium-1-yl)-N-methylpropanamide;yttrium?
2-(2-cyclohexylpyrazol-2-ium-1-yl)-N-methylpropanamide;yttrium has a molecular weight of 325.25 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylpyrazol-2-ium-1-yl)-N-methylpropanamide;yttrium is sourced from PubChem (CID 158726755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).