3-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyridine

C13H23N3 — CID 176569229

IUPAC3-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyridine
SMILESC[C@H]1C=C(C2CNN3CCCCC23)CNC1
InChIInChI=1S/C13H23N3/c1-10-6-11(8-14-7-10)12-9-15-16-5-3-2-4-13(12)16/h6,10,12-15H,2-5,7-9H2,1H3/t10-,12?,13?/m0/s1
InChIKeyPOPYAFPHQSLPJE-PKSQDBQZSA-N
MW221.35 g/mol
LogP1.14
Rot. Bonds1

About 3-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyridine

3-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyridine (PubChem CID 176569229) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyridine
PubChem CID176569229
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyridine
SMILESC[C@H]1C=C(C2CNN3CCCCC23)CNC1
InChIInChI=1S/C13H23N3/c1-10-6-11(8-14-7-10)12-9-15-16-5-3-2-4-13(12)16/h6,10,12-15H,2-5,7-9H2,1H3/t10-,12?,13?/m0/s1
InChIKeyPOPYAFPHQSLPJE-PKSQDBQZSA-N
XLogP1.14
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4,7-difluoro-3-(1,2,3,6-tetrahydropyridin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
CID 176569428
10-Pentyl-5,6-diazatricyclo[7.3.0.02,6]dodec-1(12)-ene
CID 143720884
6-[(3R)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine
CID 176569091
6-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine
CID 176569165
7-[(2R)-azetidin-2-yl]-3-(1,2,3,6-tetrahydropyridin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
CID 176569201
1-[(3R)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 176569233
3-[(3R)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,3a,6,7-hexahydropyrazolo[1,5-a]pyridine
CID 176569570
3-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
CID 176569581
3-(1,2,3,6-tetrahydropyridin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
CID 176569703
2-[(3R)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine
CID 176569718
1-(3-Methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 176569728
3-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,3a,6,7-hexahydropyrazolo[1,5-a]pyridine
CID 176569746

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyridine?
The IUPAC name of 3-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyridine (CID 176569229) is 3-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyridine is C[C@H]1C=C(C2CNN3CCCCC23)CNC1.
What is the InChIKey of 3-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyridine?
The InChIKey is POPYAFPHQSLPJE-PKSQDBQZSA-N. The full InChI is InChI=1S/C13H23N3/c1-10-6-11(8-14-7-10)12-9-15-16-5-3-2-4-13(12)16/h6,10,12-15H,2-5,7-9H2,1H3/t10-,12?,13?/m0/s1.
What are the key properties of 3-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyridine?
3-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyridine has a molecular weight of 221.35 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 176569229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).