5-tert-butyl-3H-pyrazolo[1,5-a]pyridin-8-ium

C11H15N2+ — CID 153449231

IUPAC5-tert-butyl-3H-pyrazolo[1,5-a]pyridin-8-ium
SMILESCC(C)(C)c1cc[n+]2c(c1)CC=N2
InChIInChI=1S/C11H15N2/c1-11(2,3)9-5-7-13-10(8-9)4-6-12-13/h5-8H,4H2,1-3H3/q+1
InChIKeyVFTQGPOQZGGZGH-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.66
Rot. Bonds

About 5-tert-butyl-3H-pyrazolo[1,5-a]pyridin-8-ium

5-tert-butyl-3H-pyrazolo[1,5-a]pyridin-8-ium (PubChem CID 153449231) has the molecular formula C11H15N2+ and a molecular weight of 175.25 g/mol. Its IUPAC name is 5-tert-butyl-3H-pyrazolo[1,5-a]pyridin-8-ium.

Molecular Properties

Compound Name5-tert-butyl-3H-pyrazolo[1,5-a]pyridin-8-ium
PubChem CID153449231
Molecular FormulaC11H15N2+
Molecular Weight175.25 g/mol
Exact Mass175.12
IUPAC Name5-tert-butyl-3H-pyrazolo[1,5-a]pyridin-8-ium
SMILESCC(C)(C)c1cc[n+]2c(c1)CC=N2
InChIInChI=1S/C11H15N2/c1-11(2,3)9-5-7-13-10(8-9)4-6-12-13/h5-8H,4H2,1-3H3/q+1
InChIKeyVFTQGPOQZGGZGH-UHFFFAOYSA-N
XLogP1.66
TPSA16.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3H-pyrazolo[1,5-a]pyridin-8-ium?
The IUPAC name of 5-tert-butyl-3H-pyrazolo[1,5-a]pyridin-8-ium (CID 153449231) is 5-tert-butyl-3H-pyrazolo[1,5-a]pyridin-8-ium.
What is the SMILES notation for 5-tert-butyl-3H-pyrazolo[1,5-a]pyridin-8-ium?
The canonical SMILES for 5-tert-butyl-3H-pyrazolo[1,5-a]pyridin-8-ium is CC(C)(C)c1cc[n+]2c(c1)CC=N2.
What is the InChIKey of 5-tert-butyl-3H-pyrazolo[1,5-a]pyridin-8-ium?
The InChIKey is VFTQGPOQZGGZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N2/c1-11(2,3)9-5-7-13-10(8-9)4-6-12-13/h5-8H,4H2,1-3H3/q+1.
What are the key properties of 5-tert-butyl-3H-pyrazolo[1,5-a]pyridin-8-ium?
5-tert-butyl-3H-pyrazolo[1,5-a]pyridin-8-ium has a molecular weight of 175.25 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3H-pyrazolo[1,5-a]pyridin-8-ium is sourced from PubChem (CID 153449231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).