3-tert-butyl-1,2-dihydropyrazolo[1,5-a]pyridine

C11H16N2 — CID 126704211

IUPAC3-tert-butyl-1,2-dihydropyrazolo[1,5-a]pyridine
SMILESCC(C)(C)C1=C2C=CC=CN2NC1
InChIInChI=1S/C11H16N2/c1-11(2,3)9-8-12-13-7-5-4-6-10(9)13/h4-7,12H,8H2,1-3H3
InChIKeyBEYRKQOABYFYHC-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.19
Rot. Bonds

About 3-tert-butyl-1,2-dihydropyrazolo[1,5-a]pyridine

3-tert-butyl-1,2-dihydropyrazolo[1,5-a]pyridine (PubChem CID 126704211) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 3-tert-butyl-1,2-dihydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-tert-butyl-1,2-dihydropyrazolo[1,5-a]pyridine
PubChem CID126704211
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name3-tert-butyl-1,2-dihydropyrazolo[1,5-a]pyridine
SMILESCC(C)(C)C1=C2C=CC=CN2NC1
InChIInChI=1S/C11H16N2/c1-11(2,3)9-8-12-13-7-5-4-6-10(9)13/h4-7,12H,8H2,1-3H3
InChIKeyBEYRKQOABYFYHC-UHFFFAOYSA-N
XLogP2.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1,2-dihydropyrazolo[1,5-a]pyridine?
The IUPAC name of 3-tert-butyl-1,2-dihydropyrazolo[1,5-a]pyridine (CID 126704211) is 3-tert-butyl-1,2-dihydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-tert-butyl-1,2-dihydropyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-tert-butyl-1,2-dihydropyrazolo[1,5-a]pyridine is CC(C)(C)C1=C2C=CC=CN2NC1.
What is the InChIKey of 3-tert-butyl-1,2-dihydropyrazolo[1,5-a]pyridine?
The InChIKey is BEYRKQOABYFYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-11(2,3)9-8-12-13-7-5-4-6-10(9)13/h4-7,12H,8H2,1-3H3.
What are the key properties of 3-tert-butyl-1,2-dihydropyrazolo[1,5-a]pyridine?
3-tert-butyl-1,2-dihydropyrazolo[1,5-a]pyridine has a molecular weight of 176.26 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1,2-dihydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 126704211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).