3-tert-butyl-1-methyl-5H-pyrazol-5-ide;rubidium(1+)

C8H13N2Rb — CID 157042445

IUPAC3-tert-butyl-1-methyl-5H-pyrazol-5-ide;rubidium(1+)
SMILESCn1[c-]cc(C(C)(C)C)n1.[Rb+]
InChIInChI=1S/C8H13N2.Rb/c1-8(2,3)7-5-6-10(4)9-7;/h5H,1-4H3;/q-1;+1
InChIKeyYPMBFSXYTSSYEA-UHFFFAOYSA-N
MW222.67 g/mol
LogP-1.48
Rot. Bonds

About 3-tert-butyl-1-methyl-5H-pyrazol-5-ide;rubidium(1+)

3-tert-butyl-1-methyl-5H-pyrazol-5-ide;rubidium(1+) (PubChem CID 157042445) has the molecular formula C8H13N2Rb and a molecular weight of 222.67 g/mol. Its IUPAC name is 3-tert-butyl-1-methyl-5H-pyrazol-5-ide;rubidium(1+).

Molecular Properties

Compound Name3-tert-butyl-1-methyl-5H-pyrazol-5-ide;rubidium(1+)
PubChem CID157042445
Molecular FormulaC8H13N2Rb
Molecular Weight222.67 g/mol
Exact Mass222.02
IUPAC Name3-tert-butyl-1-methyl-5H-pyrazol-5-ide;rubidium(1+)
SMILESCn1[c-]cc(C(C)(C)C)n1.[Rb+]
InChIInChI=1S/C8H13N2.Rb/c1-8(2,3)7-5-6-10(4)9-7;/h5H,1-4H3;/q-1;+1
InChIKeyYPMBFSXYTSSYEA-UHFFFAOYSA-N
XLogP-1.48
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 5-1.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;palladium(2+)
CID 54687240
5-bromo-3-tert-butyl-1-methylpyrazole
CID 77231419
2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-(3,5-ditert-butylphenyl)methyl]pyridine;platinum(2+)
CID 59357075
4-tert-butyl-2H-1,3-thiazol-2-ide;rubidium(1+)
CID 59985782
2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 58814037
5-tert-butyl-3-chloro-1-methylpyrazole
CID 84654525
tris(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)boranuide
CID 15377500
(3-tert-butyl-1-methylpyrazol-5-yl)methanamine
CID 66644048
6-tert-butyl-2,4-dimethylpyridazin-3-one
CID 58499036
2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyridine;iridium
CID 58814056
4-tert-butyl-2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;iridium
CID 58814009
2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 83986514

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-methyl-5H-pyrazol-5-ide;rubidium(1+)?
The IUPAC name of 3-tert-butyl-1-methyl-5H-pyrazol-5-ide;rubidium(1+) (CID 157042445) is 3-tert-butyl-1-methyl-5H-pyrazol-5-ide;rubidium(1+).
What is the SMILES notation for 3-tert-butyl-1-methyl-5H-pyrazol-5-ide;rubidium(1+)?
The canonical SMILES for 3-tert-butyl-1-methyl-5H-pyrazol-5-ide;rubidium(1+) is Cn1[c-]cc(C(C)(C)C)n1.[Rb+].
What is the InChIKey of 3-tert-butyl-1-methyl-5H-pyrazol-5-ide;rubidium(1+)?
The InChIKey is YPMBFSXYTSSYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N2.Rb/c1-8(2,3)7-5-6-10(4)9-7;/h5H,1-4H3;/q-1;+1.
What are the key properties of 3-tert-butyl-1-methyl-5H-pyrazol-5-ide;rubidium(1+)?
3-tert-butyl-1-methyl-5H-pyrazol-5-ide;rubidium(1+) has a molecular weight of 222.67 g/mol, XLogP of -1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-methyl-5H-pyrazol-5-ide;rubidium(1+) is sourced from PubChem (CID 157042445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).