2,6-ditert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine

C15H24N2 — CID 137381640

IUPAC2,6-ditert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine
SMILESCC(C)(C)C1=CN2NC(C(C)(C)C)=CC2C=C1
InChIInChI=1S/C15H24N2/c1-14(2,3)11-7-8-12-9-13(15(4,5)6)16-17(12)10-11/h7-10,12,16H,1-6H3
InChIKeyMCSCMDWXWGKTJA-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.61
Rot. Bonds

About 2,6-ditert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine

2,6-ditert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine (PubChem CID 137381640) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2,6-ditert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2,6-ditert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine
PubChem CID137381640
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2,6-ditert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine
SMILESCC(C)(C)C1=CN2NC(C(C)(C)C)=CC2C=C1
InChIInChI=1S/C15H24N2/c1-14(2,3)11-7-8-12-9-13(15(4,5)6)16-17(12)10-11/h7-10,12,16H,1-6H3
InChIKeyMCSCMDWXWGKTJA-UHFFFAOYSA-N
XLogP3.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-Dimethyl-1,3a-dihydropyrazolo[1,5-a]pyridine
CID 58047454
2,5-Dimethyl-1,3a-dihydropyrazolo[1,5-a]pyridine
CID 58047670
6-Tert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine
CID 59640649
2-Propan-2-yl-1,2-dihydropyrazolo[1,5-a]pyridine
CID 69017494
6-Ethyl-1,3a-dihydropyrazolo[1,5-a]pyridine
CID 89033267
6-Methyl-1,3a-dihydropyrazolo[1,5-a]pyridine
CID 89976888
2,7-Dimethyl-1,7a-dihydroindazole
CID 90334627
2-Propan-2-yl-1,7a-dihydroindazole
CID 122468716
3-Methyl-1,3a-dihydropyrazolo[1,5-a]pyridine
CID 124130286
3-Tert-butyl-1,2-dihydropyrazolo[1,5-a]pyridine
CID 126704211
3-Tert-butyl-2,5-diethyl-6-methylidene-1,3-dihydropyridazine
CID 130242734
3-(2-Methylpropyl)-1,2-dihydropyrazolo[1,5-a]pyridine
CID 130410109

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine?
The IUPAC name of 2,6-ditert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine (CID 137381640) is 2,6-ditert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2,6-ditert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine?
The canonical SMILES for 2,6-ditert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine is CC(C)(C)C1=CN2NC(C(C)(C)C)=CC2C=C1.
What is the InChIKey of 2,6-ditert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine?
The InChIKey is MCSCMDWXWGKTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-14(2,3)11-7-8-12-9-13(15(4,5)6)16-17(12)10-11/h7-10,12,16H,1-6H3.
What are the key properties of 2,6-ditert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine?
2,6-ditert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine has a molecular weight of 232.37 g/mol, XLogP of 3.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 137381640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).