5-tert-butyl-1,3,4,7-tetramethylpyrazolo[3,4-c]pyridine

C14H21N3 — CID 159927339

IUPAC5-tert-butyl-1,3,4,7-tetramethylpyrazolo[3,4-c]pyridine
SMILESCc1nn(C)c2c(C)nc(C(C)(C)C)c(C)c12
InChIInChI=1S/C14H21N3/c1-8-11-9(2)16-17(7)12(11)10(3)15-13(8)14(4,5)6/h1-7H3
InChIKeyUMSHAZSCTKQMGS-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.19
Rot. Bonds

About 5-tert-butyl-1,3,4,7-tetramethylpyrazolo[3,4-c]pyridine

5-tert-butyl-1,3,4,7-tetramethylpyrazolo[3,4-c]pyridine (PubChem CID 159927339) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 5-tert-butyl-1,3,4,7-tetramethylpyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-tert-butyl-1,3,4,7-tetramethylpyrazolo[3,4-c]pyridine
PubChem CID159927339
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name5-tert-butyl-1,3,4,7-tetramethylpyrazolo[3,4-c]pyridine
SMILESCc1nn(C)c2c(C)nc(C(C)(C)C)c(C)c12
InChIInChI=1S/C14H21N3/c1-8-11-9(2)16-17(7)12(11)10(3)15-13(8)14(4,5)6/h1-7H3
InChIKeyUMSHAZSCTKQMGS-UHFFFAOYSA-N
XLogP3.19
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,3,4,7-tetramethylpyrazolo[3,4-c]pyridine?
The IUPAC name of 5-tert-butyl-1,3,4,7-tetramethylpyrazolo[3,4-c]pyridine (CID 159927339) is 5-tert-butyl-1,3,4,7-tetramethylpyrazolo[3,4-c]pyridine.
What is the SMILES notation for 5-tert-butyl-1,3,4,7-tetramethylpyrazolo[3,4-c]pyridine?
The canonical SMILES for 5-tert-butyl-1,3,4,7-tetramethylpyrazolo[3,4-c]pyridine is Cc1nn(C)c2c(C)nc(C(C)(C)C)c(C)c12.
What is the InChIKey of 5-tert-butyl-1,3,4,7-tetramethylpyrazolo[3,4-c]pyridine?
The InChIKey is UMSHAZSCTKQMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-8-11-9(2)16-17(7)12(11)10(3)15-13(8)14(4,5)6/h1-7H3.
What are the key properties of 5-tert-butyl-1,3,4,7-tetramethylpyrazolo[3,4-c]pyridine?
5-tert-butyl-1,3,4,7-tetramethylpyrazolo[3,4-c]pyridine has a molecular weight of 231.34 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,3,4,7-tetramethylpyrazolo[3,4-c]pyridine is sourced from PubChem (CID 159927339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).