3-tert-butyl-1-methyl-5-phenylpyrazolo[4,3-b]pyridine

C17H19N3 — CID 15946944

IUPAC3-tert-butyl-1-methyl-5-phenylpyrazolo[4,3-b]pyridine
SMILESCn1nc(C(C)(C)C)c2nc(-c3ccccc3)ccc21
InChIInChI=1S/C17H19N3/c1-17(2,3)16-15-14(20(4)19-16)11-10-13(18-15)12-8-6-5-7-9-12/h5-11H,1-4H3
InChIKeyUJXGSXLVAJXWRM-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.93
Rot. Bonds1

About 3-tert-butyl-1-methyl-5-phenylpyrazolo[4,3-b]pyridine

3-tert-butyl-1-methyl-5-phenylpyrazolo[4,3-b]pyridine (PubChem CID 15946944) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-tert-butyl-1-methyl-5-phenylpyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3-tert-butyl-1-methyl-5-phenylpyrazolo[4,3-b]pyridine
PubChem CID15946944
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name3-tert-butyl-1-methyl-5-phenylpyrazolo[4,3-b]pyridine
SMILESCn1nc(C(C)(C)C)c2nc(-c3ccccc3)ccc21
InChIInChI=1S/C17H19N3/c1-17(2,3)16-15-14(20(4)19-16)11-10-13(18-15)12-8-6-5-7-9-12/h5-11H,1-4H3
InChIKeyUJXGSXLVAJXWRM-UHFFFAOYSA-N
XLogP3.93
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-methyl-5-phenylpyrazolo[4,3-b]pyridine?
The IUPAC name of 3-tert-butyl-1-methyl-5-phenylpyrazolo[4,3-b]pyridine (CID 15946944) is 3-tert-butyl-1-methyl-5-phenylpyrazolo[4,3-b]pyridine.
What is the SMILES notation for 3-tert-butyl-1-methyl-5-phenylpyrazolo[4,3-b]pyridine?
The canonical SMILES for 3-tert-butyl-1-methyl-5-phenylpyrazolo[4,3-b]pyridine is Cn1nc(C(C)(C)C)c2nc(-c3ccccc3)ccc21.
What is the InChIKey of 3-tert-butyl-1-methyl-5-phenylpyrazolo[4,3-b]pyridine?
The InChIKey is UJXGSXLVAJXWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-17(2,3)16-15-14(20(4)19-16)11-10-13(18-15)12-8-6-5-7-9-12/h5-11H,1-4H3.
What are the key properties of 3-tert-butyl-1-methyl-5-phenylpyrazolo[4,3-b]pyridine?
3-tert-butyl-1-methyl-5-phenylpyrazolo[4,3-b]pyridine has a molecular weight of 265.36 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-methyl-5-phenylpyrazolo[4,3-b]pyridine is sourced from PubChem (CID 15946944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).