6-tert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine

C11H16N2 — CID 59640649

IUPAC6-tert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine
SMILESCC(C)(C)C1=CN2NC=CC2C=C1
InChIInChI=1S/C11H16N2/c1-11(2,3)9-4-5-10-6-7-12-13(10)8-9/h4-8,10,12H,1-3H3
InChIKeyUWCGOKQSWGWXDC-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.19
Rot. Bonds

About 6-tert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine

6-tert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine (PubChem CID 59640649) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 6-tert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-tert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine
PubChem CID59640649
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name6-tert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine
SMILESCC(C)(C)C1=CN2NC=CC2C=C1
InChIInChI=1S/C11H16N2/c1-11(2,3)9-4-5-10-6-7-12-13(10)8-9/h4-8,10,12H,1-3H3
InChIKeyUWCGOKQSWGWXDC-UHFFFAOYSA-N
XLogP2.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine?
The IUPAC name of 6-tert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine (CID 59640649) is 6-tert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for 6-tert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine?
The canonical SMILES for 6-tert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine is CC(C)(C)C1=CN2NC=CC2C=C1.
What is the InChIKey of 6-tert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine?
The InChIKey is UWCGOKQSWGWXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-11(2,3)9-4-5-10-6-7-12-13(10)8-9/h4-8,10,12H,1-3H3.
What are the key properties of 6-tert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine?
6-tert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine has a molecular weight of 176.26 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 59640649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).