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

C10H17N3 — CID 59140376

IUPAC7-tert-butyl-1,4,5,6-tetrahydropyrazolo[5,4-b]pyridine
SMILESCC(C)(C)N1CCCc2cn[nH]c21
InChIInChI=1S/C10H17N3/c1-10(2,3)13-6-4-5-8-7-11-12-9(8)13/h7H,4-6H2,1-3H3,(H,11,12)
InChIKeyQUXSFWFRKGKRKV-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.96
Rot. Bonds

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

7-tert-butyl-1,4,5,6-tetrahydropyrazolo[5,4-b]pyridine (PubChem CID 59140376) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 7-tert-butyl-1,4,5,6-tetrahydropyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name7-tert-butyl-1,4,5,6-tetrahydropyrazolo[5,4-b]pyridine
PubChem CID59140376
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name7-tert-butyl-1,4,5,6-tetrahydropyrazolo[5,4-b]pyridine
SMILESCC(C)(C)N1CCCc2cn[nH]c21
InChIInChI=1S/C10H17N3/c1-10(2,3)13-6-4-5-8-7-11-12-9(8)13/h7H,4-6H2,1-3H3,(H,11,12)
InChIKeyQUXSFWFRKGKRKV-UHFFFAOYSA-N
XLogP1.96
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-1,4,5,6-tetrahydropyrazolo[5,4-b]pyridine?
The IUPAC name of 7-tert-butyl-1,4,5,6-tetrahydropyrazolo[5,4-b]pyridine (CID 59140376) is 7-tert-butyl-1,4,5,6-tetrahydropyrazolo[5,4-b]pyridine.
What is the SMILES notation for 7-tert-butyl-1,4,5,6-tetrahydropyrazolo[5,4-b]pyridine?
The canonical SMILES for 7-tert-butyl-1,4,5,6-tetrahydropyrazolo[5,4-b]pyridine is CC(C)(C)N1CCCc2cn[nH]c21.
What is the InChIKey of 7-tert-butyl-1,4,5,6-tetrahydropyrazolo[5,4-b]pyridine?
The InChIKey is QUXSFWFRKGKRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-10(2,3)13-6-4-5-8-7-11-12-9(8)13/h7H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 7-tert-butyl-1,4,5,6-tetrahydropyrazolo[5,4-b]pyridine?
7-tert-butyl-1,4,5,6-tetrahydropyrazolo[5,4-b]pyridine has a molecular weight of 179.27 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-1,4,5,6-tetrahydropyrazolo[5,4-b]pyridine is sourced from PubChem (CID 59140376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).