3-tert-butyl-4-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

C11H17FN2 — CID 146610617

IUPAC3-tert-butyl-4-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESCC(C)(C)c1cnn2c1C(F)CCC2
InChIInChI=1S/C11H17FN2/c1-11(2,3)8-7-13-14-6-4-5-9(12)10(8)14/h7,9H,4-6H2,1-3H3
InChIKeyOJEXUIJPTOTBKO-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.98
Rot. Bonds

About 3-tert-butyl-4-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

3-tert-butyl-4-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (PubChem CID 146610617) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 3-tert-butyl-4-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-tert-butyl-4-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
PubChem CID146610617
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name3-tert-butyl-4-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESCC(C)(C)c1cnn2c1C(F)CCC2
InChIInChI=1S/C11H17FN2/c1-11(2,3)8-7-13-14-6-4-5-9(12)10(8)14/h7,9H,4-6H2,1-3H3
InChIKeyOJEXUIJPTOTBKO-UHFFFAOYSA-N
XLogP2.98
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The IUPAC name of 3-tert-butyl-4-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (CID 146610617) is 3-tert-butyl-4-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-tert-butyl-4-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-tert-butyl-4-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is CC(C)(C)c1cnn2c1C(F)CCC2.
What is the InChIKey of 3-tert-butyl-4-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The InChIKey is OJEXUIJPTOTBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-11(2,3)8-7-13-14-6-4-5-9(12)10(8)14/h7,9H,4-6H2,1-3H3.
What are the key properties of 3-tert-butyl-4-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
3-tert-butyl-4-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine has a molecular weight of 196.27 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 146610617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).