1,2-di(propan-2-yl)-3aH-pyrazolo[1,5-a]pyridine

C13H20N2 — CID 166774814

IUPAC1,2-di(propan-2-yl)-3aH-pyrazolo[1,5-a]pyridine
SMILESCC(C)C1=CC2C=CC=CN2N1C(C)C
InChIInChI=1S/C13H20N2/c1-10(2)13-9-12-7-5-6-8-14(12)15(13)11(3)4/h5-12H,1-4H3
InChIKeyJGLOHTDLUWZUPD-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.92
Rot. Bonds2

About 1,2-di(propan-2-yl)-3aH-pyrazolo[1,5-a]pyridine

1,2-di(propan-2-yl)-3aH-pyrazolo[1,5-a]pyridine (PubChem CID 166774814) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1,2-di(propan-2-yl)-3aH-pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name1,2-di(propan-2-yl)-3aH-pyrazolo[1,5-a]pyridine
PubChem CID166774814
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1,2-di(propan-2-yl)-3aH-pyrazolo[1,5-a]pyridine
SMILESCC(C)C1=CC2C=CC=CN2N1C(C)C
InChIInChI=1S/C13H20N2/c1-10(2)13-9-12-7-5-6-8-14(12)15(13)11(3)4/h5-12H,1-4H3
InChIKeyJGLOHTDLUWZUPD-UHFFFAOYSA-N
XLogP2.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-di(propan-2-yl)-3aH-pyrazolo[1,5-a]pyridine?
The IUPAC name of 1,2-di(propan-2-yl)-3aH-pyrazolo[1,5-a]pyridine (CID 166774814) is 1,2-di(propan-2-yl)-3aH-pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 1,2-di(propan-2-yl)-3aH-pyrazolo[1,5-a]pyridine?
The canonical SMILES for 1,2-di(propan-2-yl)-3aH-pyrazolo[1,5-a]pyridine is CC(C)C1=CC2C=CC=CN2N1C(C)C.
What is the InChIKey of 1,2-di(propan-2-yl)-3aH-pyrazolo[1,5-a]pyridine?
The InChIKey is JGLOHTDLUWZUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10(2)13-9-12-7-5-6-8-14(12)15(13)11(3)4/h5-12H,1-4H3.
What are the key properties of 1,2-di(propan-2-yl)-3aH-pyrazolo[1,5-a]pyridine?
1,2-di(propan-2-yl)-3aH-pyrazolo[1,5-a]pyridine has a molecular weight of 204.32 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(propan-2-yl)-3aH-pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 166774814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).