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

C13H21N3 — CID 176569746

IUPAC3-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,3a,6,7-hexahydropyrazolo[1,5-a]pyridine
SMILESC[C@H]1C=C(C2CNN3CCC=CC23)CNC1
InChIInChI=1S/C13H21N3/c1-10-6-11(8-14-7-10)12-9-15-16-5-3-2-4-13(12)16/h2,4,6,10,12-15H,3,5,7-9H2,1H3/t10-,12?,13?/m0/s1
InChIKeyWPHDOPIBWVVPAB-PKSQDBQZSA-N
MW219.33 g/mol
LogP0.92
Rot. Bonds1

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

3-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,3a,6,7-hexahydropyrazolo[1,5-a]pyridine (PubChem CID 176569746) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,3a,6,7-hexahydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,3a,6,7-hexahydropyrazolo[1,5-a]pyridine
PubChem CID176569746
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name3-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,3a,6,7-hexahydropyrazolo[1,5-a]pyridine
SMILESC[C@H]1C=C(C2CNN3CCC=CC23)CNC1
InChIInChI=1S/C13H21N3/c1-10-6-11(8-14-7-10)12-9-15-16-5-3-2-4-13(12)16/h2,4,6,10,12-15H,3,5,7-9H2,1H3/t10-,12?,13?/m0/s1
InChIKeyWPHDOPIBWVVPAB-PKSQDBQZSA-N
XLogP0.92
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,3a,6,7-hexahydropyrazolo[1,5-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Pentyl-2,3,3a,7a-tetrahydroindazole
CID 67804902
1-Prop-2-enyl-2,3,3a,4,4a,5,6,7-octahydropyrazolo[3,4-g]quinoline
CID 70479212
6-Methyl-2-pentyl-1,3,3a,7a-tetrahydroindazole-3-carbonitrile
CID 70630029
1-(2,3,3a,4,7,7a-hexahydro-1H-indol-4-ylmethyl)-1-methylhydrazine
CID 118548920
2-(2,3,7,7a-tetrahydro-1H-indol-3-yl)ethylhydrazine
CID 118548943
3-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-propylpyrrolidin-1-amine
CID 126712242
2-[(2S)-2-methylbutyl]-1,3,3a,7a-tetrahydroindazole;uranium
CID 163961556
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
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
2-[(2S)-2-methylbutyl]-1,3,3a,7a-tetrahydroindazole
CID 163961557

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,3a,6,7-hexahydropyrazolo[1,5-a]pyridine?
The IUPAC name of 3-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,3a,6,7-hexahydropyrazolo[1,5-a]pyridine (CID 176569746) is 3-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,3a,6,7-hexahydropyrazolo[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,6,7-hexahydropyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,3a,6,7-hexahydropyrazolo[1,5-a]pyridine is C[C@H]1C=C(C2CNN3CCC=CC23)CNC1.
What is the InChIKey of 3-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,3a,6,7-hexahydropyrazolo[1,5-a]pyridine?
The InChIKey is WPHDOPIBWVVPAB-PKSQDBQZSA-N. The full InChI is InChI=1S/C13H21N3/c1-10-6-11(8-14-7-10)12-9-15-16-5-3-2-4-13(12)16/h2,4,6,10,12-15H,3,5,7-9H2,1H3/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,6,7-hexahydropyrazolo[1,5-a]pyridine?
3-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,3a,6,7-hexahydropyrazolo[1,5-a]pyridine has a molecular weight of 219.33 g/mol, XLogP of 0.92, 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,6,7-hexahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 176569746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).