1,6-ditert-butyl-3,7-dihydro-2H-pyrazolo[3,4-c]pyridine

C14H25N3 — CID 20773165

IUPAC1,6-ditert-butyl-3,7-dihydro-2H-pyrazolo[3,4-c]pyridine
SMILESCC(C)(C)N1C=CC2=C(C1)N(C(C)(C)C)NC2
InChIInChI=1S/C14H25N3/c1-13(2,3)16-8-7-11-9-15-17(12(11)10-16)14(4,5)6/h7-8,15H,9-10H2,1-6H3
InChIKeyUMYNRGJSUBNYCP-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.49
Rot. Bonds

About 1,6-ditert-butyl-3,7-dihydro-2H-pyrazolo[3,4-c]pyridine

1,6-ditert-butyl-3,7-dihydro-2H-pyrazolo[3,4-c]pyridine (PubChem CID 20773165) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is 1,6-ditert-butyl-3,7-dihydro-2H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name1,6-ditert-butyl-3,7-dihydro-2H-pyrazolo[3,4-c]pyridine
PubChem CID20773165
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name1,6-ditert-butyl-3,7-dihydro-2H-pyrazolo[3,4-c]pyridine
SMILESCC(C)(C)N1C=CC2=C(C1)N(C(C)(C)C)NC2
InChIInChI=1S/C14H25N3/c1-13(2,3)16-8-7-11-9-15-17(12(11)10-16)14(4,5)6/h7-8,15H,9-10H2,1-6H3
InChIKeyUMYNRGJSUBNYCP-UHFFFAOYSA-N
XLogP2.49
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,6-ditert-butyl-3,7-dihydro-2H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 1,6-ditert-butyl-3,7-dihydro-2H-pyrazolo[3,4-c]pyridine (CID 20773165) is 1,6-ditert-butyl-3,7-dihydro-2H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 1,6-ditert-butyl-3,7-dihydro-2H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 1,6-ditert-butyl-3,7-dihydro-2H-pyrazolo[3,4-c]pyridine is CC(C)(C)N1C=CC2=C(C1)N(C(C)(C)C)NC2.
What is the InChIKey of 1,6-ditert-butyl-3,7-dihydro-2H-pyrazolo[3,4-c]pyridine?
The InChIKey is UMYNRGJSUBNYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-13(2,3)16-8-7-11-9-15-17(12(11)10-16)14(4,5)6/h7-8,15H,9-10H2,1-6H3.
What are the key properties of 1,6-ditert-butyl-3,7-dihydro-2H-pyrazolo[3,4-c]pyridine?
1,6-ditert-butyl-3,7-dihydro-2H-pyrazolo[3,4-c]pyridine has a molecular weight of 235.38 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-ditert-butyl-3,7-dihydro-2H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 20773165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).