1-ethyl-3,6-di(propan-2-yl)pyrazolo[4,3-b]pyridine

C14H21N3 — CID 174196463

IUPAC1-ethyl-3,6-di(propan-2-yl)pyrazolo[4,3-b]pyridine
SMILESCCn1nc(C(C)C)c2ncc(C(C)C)cc21
InChIInChI=1S/C14H21N3/c1-6-17-12-7-11(9(2)3)8-15-14(12)13(16-17)10(4)5/h7-10H,6H2,1-5H3
InChIKeyBXERKOFHFQDGDK-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.70
Rot. Bonds3

About 1-ethyl-3,6-di(propan-2-yl)pyrazolo[4,3-b]pyridine

1-ethyl-3,6-di(propan-2-yl)pyrazolo[4,3-b]pyridine (PubChem CID 174196463) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-ethyl-3,6-di(propan-2-yl)pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name1-ethyl-3,6-di(propan-2-yl)pyrazolo[4,3-b]pyridine
PubChem CID174196463
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name1-ethyl-3,6-di(propan-2-yl)pyrazolo[4,3-b]pyridine
SMILESCCn1nc(C(C)C)c2ncc(C(C)C)cc21
InChIInChI=1S/C14H21N3/c1-6-17-12-7-11(9(2)3)8-15-14(12)13(16-17)10(4)5/h7-10H,6H2,1-5H3
InChIKeyBXERKOFHFQDGDK-UHFFFAOYSA-N
XLogP3.70
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,6-di(propan-2-yl)pyrazolo[4,3-b]pyridine?
The IUPAC name of 1-ethyl-3,6-di(propan-2-yl)pyrazolo[4,3-b]pyridine (CID 174196463) is 1-ethyl-3,6-di(propan-2-yl)pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 1-ethyl-3,6-di(propan-2-yl)pyrazolo[4,3-b]pyridine?
The canonical SMILES for 1-ethyl-3,6-di(propan-2-yl)pyrazolo[4,3-b]pyridine is CCn1nc(C(C)C)c2ncc(C(C)C)cc21.
What is the InChIKey of 1-ethyl-3,6-di(propan-2-yl)pyrazolo[4,3-b]pyridine?
The InChIKey is BXERKOFHFQDGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-6-17-12-7-11(9(2)3)8-15-14(12)13(16-17)10(4)5/h7-10H,6H2,1-5H3.
What are the key properties of 1-ethyl-3,6-di(propan-2-yl)pyrazolo[4,3-b]pyridine?
1-ethyl-3,6-di(propan-2-yl)pyrazolo[4,3-b]pyridine has a molecular weight of 231.34 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,6-di(propan-2-yl)pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 174196463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).