1,4-dimethyl-3H-pyrazol-3-ide;2,5-dimethyl-3H-pyridin-3-ide;methylcyclohexane;4-methyl-2H-pyridin-2-ide;tridecakis(yttrium)

C25H35N4Y13-3 — CID 157069254

IUPAC1,4-dimethyl-3H-pyrazol-3-ide;2,5-dimethyl-3H-pyridin-3-ide;methylcyclohexane;4-methyl-2H-pyridin-2-ide;tridecakis(yttrium)
SMILESCC1CCCCC1.Cc1[c-]nn(C)c1.Cc1c[c-]c(C)nc1.Cc1c[c-]ncc1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C7H8N.C7H14.C6H6N.C5H7N2.13Y/c1-6-3-4-7(2)8-5-6;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-5-3-6-7(2)4-5;;;;;;;;;;;;;/h3,5H,1-2H3;7H,2-6H2,1H3;2-4H,1H3;4H,1-2H3;;;;;;;;;;;;;/q-1;;2*-1;;;;;;;;;;;;;
InChIKeySCSHRXAXPFDXAE-UHFFFAOYSA-N
MW1547.36 g/mol
LogP5.77
Rot. Bonds

About 1,4-dimethyl-3H-pyrazol-3-ide;2,5-dimethyl-3H-pyridin-3-ide;methylcyclohexane;4-methyl-2H-pyridin-2-ide;tridecakis(yttrium)

1,4-dimethyl-3H-pyrazol-3-ide;2,5-dimethyl-3H-pyridin-3-ide;methylcyclohexane;4-methyl-2H-pyridin-2-ide;tridecakis(yttrium) (PubChem CID 157069254) has the molecular formula C25H35N4Y13-3 and a molecular weight of 1547.36 g/mol. Its IUPAC name is 1,4-dimethyl-3H-pyrazol-3-ide;2,5-dimethyl-3H-pyridin-3-ide;methylcyclohexane;4-methyl-2H-pyridin-2-ide;tridecakis(yttrium).

Molecular Properties

Compound Name1,4-dimethyl-3H-pyrazol-3-ide;2,5-dimethyl-3H-pyridin-3-ide;methylcyclohexane;4-methyl-2H-pyridin-2-ide;tridecakis(yttrium)
PubChem CID157069254
Molecular FormulaC25H35N4Y13-3
Molecular Weight1547.36 g/mol
Exact Mass1547.06
IUPAC Name1,4-dimethyl-3H-pyrazol-3-ide;2,5-dimethyl-3H-pyridin-3-ide;methylcyclohexane;4-methyl-2H-pyridin-2-ide;tridecakis(yttrium)
SMILESCC1CCCCC1.Cc1[c-]nn(C)c1.Cc1c[c-]c(C)nc1.Cc1c[c-]ncc1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C7H8N.C7H14.C6H6N.C5H7N2.13Y/c1-6-3-4-7(2)8-5-6;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-5-3-6-7(2)4-5;;;;;;;;;;;;;/h3,5H,1-2H3;7H,2-6H2,1H3;2-4H,1H3;4H,1-2H3;;;;;;;;;;;;;/q-1;;2*-1;;;;;;;;;;;;;
InChIKeySCSHRXAXPFDXAE-UHFFFAOYSA-N
XLogP5.77
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001547.36
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3H-pyrazol-3-ide;2,5-dimethyl-3H-pyridin-3-ide;methylcyclohexane;4-methyl-2H-pyridin-2-ide;tridecakis(yttrium)?
The IUPAC name of 1,4-dimethyl-3H-pyrazol-3-ide;2,5-dimethyl-3H-pyridin-3-ide;methylcyclohexane;4-methyl-2H-pyridin-2-ide;tridecakis(yttrium) (CID 157069254) is 1,4-dimethyl-3H-pyrazol-3-ide;2,5-dimethyl-3H-pyridin-3-ide;methylcyclohexane;4-methyl-2H-pyridin-2-ide;tridecakis(yttrium).
What is the SMILES notation for 1,4-dimethyl-3H-pyrazol-3-ide;2,5-dimethyl-3H-pyridin-3-ide;methylcyclohexane;4-methyl-2H-pyridin-2-ide;tridecakis(yttrium)?
The canonical SMILES for 1,4-dimethyl-3H-pyrazol-3-ide;2,5-dimethyl-3H-pyridin-3-ide;methylcyclohexane;4-methyl-2H-pyridin-2-ide;tridecakis(yttrium) is CC1CCCCC1.Cc1[c-]nn(C)c1.Cc1c[c-]c(C)nc1.Cc1c[c-]ncc1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of 1,4-dimethyl-3H-pyrazol-3-ide;2,5-dimethyl-3H-pyridin-3-ide;methylcyclohexane;4-methyl-2H-pyridin-2-ide;tridecakis(yttrium)?
The InChIKey is SCSHRXAXPFDXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N.C7H14.C6H6N.C5H7N2.13Y/c1-6-3-4-7(2)8-5-6;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-5-3-6-7(2)4-5;;;;;;;;;;;;;/h3,5H,1-2H3;7H,2-6H2,1H3;2-4H,1H3;4H,1-2H3;;;;;;;;;;;;;/q-1;;2*-1;;;;;;;;;;;;;.
What are the key properties of 1,4-dimethyl-3H-pyrazol-3-ide;2,5-dimethyl-3H-pyridin-3-ide;methylcyclohexane;4-methyl-2H-pyridin-2-ide;tridecakis(yttrium)?
1,4-dimethyl-3H-pyrazol-3-ide;2,5-dimethyl-3H-pyridin-3-ide;methylcyclohexane;4-methyl-2H-pyridin-2-ide;tridecakis(yttrium) has a molecular weight of 1547.36 g/mol, XLogP of 5.77, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3H-pyrazol-3-ide;2,5-dimethyl-3H-pyridin-3-ide;methylcyclohexane;4-methyl-2H-pyridin-2-ide;tridecakis(yttrium) is sourced from PubChem (CID 157069254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).