4-fluoro-3-(3-methylbutan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

C12H19FN2 — CID 167303848

IUPAC4-fluoro-3-(3-methylbutan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESCC(C)C(C)c1cnn2c1C(F)CCC2
InChIInChI=1S/C12H19FN2/c1-8(2)9(3)10-7-14-15-6-4-5-11(13)12(10)15/h7-9,11H,4-6H2,1-3H3
InChIKeyJKLSMTFFMXRFKM-UHFFFAOYSA-N
MW210.30 g/mol
LogP3.45
Rot. Bonds2

About 4-fluoro-3-(3-methylbutan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

4-fluoro-3-(3-methylbutan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (PubChem CID 167303848) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 4-fluoro-3-(3-methylbutan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name4-fluoro-3-(3-methylbutan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
PubChem CID167303848
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name4-fluoro-3-(3-methylbutan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESCC(C)C(C)c1cnn2c1C(F)CCC2
InChIInChI=1S/C12H19FN2/c1-8(2)9(3)10-7-14-15-6-4-5-11(13)12(10)15/h7-9,11H,4-6H2,1-3H3
InChIKeyJKLSMTFFMXRFKM-UHFFFAOYSA-N
XLogP3.45
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(3-methylbutan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The IUPAC name of 4-fluoro-3-(3-methylbutan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (CID 167303848) is 4-fluoro-3-(3-methylbutan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for 4-fluoro-3-(3-methylbutan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The canonical SMILES for 4-fluoro-3-(3-methylbutan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is CC(C)C(C)c1cnn2c1C(F)CCC2.
What is the InChIKey of 4-fluoro-3-(3-methylbutan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The InChIKey is JKLSMTFFMXRFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-8(2)9(3)10-7-14-15-6-4-5-11(13)12(10)15/h7-9,11H,4-6H2,1-3H3.
What are the key properties of 4-fluoro-3-(3-methylbutan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
4-fluoro-3-(3-methylbutan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine has a molecular weight of 210.30 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(3-methylbutan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 167303848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).