1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine

C10H17N3 — CID 84647054

IUPAC1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine
SMILESCC(C)(C)n1ncc2c1CCCN2
InChIInChI=1S/C10H17N3/c1-10(2,3)13-9-5-4-6-11-8(9)7-12-13/h7,11H,4-6H2,1-3H3
InChIKeyICPQPWSWPHCGNZ-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.00
Rot. Bonds

About 1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine

1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine (PubChem CID 84647054) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine
PubChem CID84647054
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine
SMILESCC(C)(C)n1ncc2c1CCCN2
InChIInChI=1S/C10H17N3/c1-10(2,3)13-9-5-4-6-11-8(9)7-12-13/h7,11H,4-6H2,1-3H3
InChIKeyICPQPWSWPHCGNZ-UHFFFAOYSA-N
XLogP2.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine?
The IUPAC name of 1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine (CID 84647054) is 1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine.
What is the SMILES notation for 1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine?
The canonical SMILES for 1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine is CC(C)(C)n1ncc2c1CCCN2.
What is the InChIKey of 1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine?
The InChIKey is ICPQPWSWPHCGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-10(2,3)13-9-5-4-6-11-8(9)7-12-13/h7,11H,4-6H2,1-3H3.
What are the key properties of 1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine?
1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine has a molecular weight of 179.27 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine is sourced from PubChem (CID 84647054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).