2-(1-methoxy-2-methylpropan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

C12H20N2O — CID 123344082

IUPAC2-(1-methoxy-2-methylpropan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESCOCC(C)(C)c1cc2n(n1)CCCC2
InChIInChI=1S/C12H20N2O/c1-12(2,9-15-3)11-8-10-6-4-5-7-14(10)13-11/h8H,4-7,9H2,1-3H3
InChIKeyFJSZGGIYQABHET-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.14
Rot. Bonds3

About 2-(1-methoxy-2-methylpropan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

2-(1-methoxy-2-methylpropan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (PubChem CID 123344082) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(1-methoxy-2-methylpropan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(1-methoxy-2-methylpropan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
PubChem CID123344082
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-(1-methoxy-2-methylpropan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESCOCC(C)(C)c1cc2n(n1)CCCC2
InChIInChI=1S/C12H20N2O/c1-12(2,9-15-3)11-8-10-6-4-5-7-14(10)13-11/h8H,4-7,9H2,1-3H3
InChIKeyFJSZGGIYQABHET-UHFFFAOYSA-N
XLogP2.14
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxy-2-methylpropan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The IUPAC name of 2-(1-methoxy-2-methylpropan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (CID 123344082) is 2-(1-methoxy-2-methylpropan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(1-methoxy-2-methylpropan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-(1-methoxy-2-methylpropan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is COCC(C)(C)c1cc2n(n1)CCCC2.
What is the InChIKey of 2-(1-methoxy-2-methylpropan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The InChIKey is FJSZGGIYQABHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-12(2,9-15-3)11-8-10-6-4-5-7-14(10)13-11/h8H,4-7,9H2,1-3H3.
What are the key properties of 2-(1-methoxy-2-methylpropan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
2-(1-methoxy-2-methylpropan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine has a molecular weight of 208.30 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxy-2-methylpropan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 123344082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).