3-(1,3-benzodioxol-5-yl)-5-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine

C21H29N5O2 — CID 74778502

IUPAC3-(1,3-benzodioxol-5-yl)-5-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine
SMILESCCCn1ncc(CN2CCC3NNC(c4ccc5c(c4)OCO5)C3C2)c1C
InChIInChI=1S/C21H29N5O2/c1-3-7-26-14(2)16(10-22-26)11-25-8-6-18-17(12-25)21(24-23-18)15-4-5-19-20(9-15)28-13-27-19/h4-5,9-10,17-18,21,23-24H,3,6-8,11-13H2,1-2H3
InChIKeyUGZPOHZDEOOLGP-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.37
Rot. Bonds5

About 3-(1,3-benzodioxol-5-yl)-5-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine

3-(1,3-benzodioxol-5-yl)-5-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine (PubChem CID 74778502) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-5-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-5-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine
PubChem CID74778502
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name3-(1,3-benzodioxol-5-yl)-5-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine
SMILESCCCn1ncc(CN2CCC3NNC(c4ccc5c(c4)OCO5)C3C2)c1C
InChIInChI=1S/C21H29N5O2/c1-3-7-26-14(2)16(10-22-26)11-25-8-6-18-17(12-25)21(24-23-18)15-4-5-19-20(9-15)28-13-27-19/h4-5,9-10,17-18,21,23-24H,3,6-8,11-13H2,1-2H3
InChIKeyUGZPOHZDEOOLGP-UHFFFAOYSA-N
XLogP2.37
TPSA63.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(1,3-benzodioxol-5-yl)-5-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]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

(3S,4R)-4-(1,3-benzodioxol-5-yl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 70728289
[3-(1,3-benzodioxol-5-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-(1-ethylpyrazol-4-yl)methanone
CID 74810636
1-[3-(1,3-benzodioxol-5-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-2-(1-methylpyrrol-3-yl)ethanone
CID 74778542
(2S)-2-(3,4-dichlorophenyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]morpholine
CID 95557665
(3R,4S)-4-hydroxy-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 165423805
(3S,4S)-4-(1,3-benzodioxol-5-yl)-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-ol
CID 50968231
N-(1,3-benzodioxol-5-ylmethyl)-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 43818620
2-[(2S)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 28954927
1-(2-methoxyethyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperazine
CID 77098022
(2S)-2-[(3-methoxyphenyl)methyl]-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]morpholine
CID 95550670
4-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperazine-1-sulfonamide
CID 77086335
[4-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]piperidin-1-yl]-(5-methyl-2H-triazol-4-yl)methanone
CID 155502619

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-5-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-5-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine (CID 74778502) is 3-(1,3-benzodioxol-5-yl)-5-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-5-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-5-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine is CCCn1ncc(CN2CCC3NNC(c4ccc5c(c4)OCO5)C3C2)c1C.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-5-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine?
The InChIKey is UGZPOHZDEOOLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-3-7-26-14(2)16(10-22-26)11-25-8-6-18-17(12-25)21(24-23-18)15-4-5-19-20(9-15)28-13-27-19/h4-5,9-10,17-18,21,23-24H,3,6-8,11-13H2,1-2H3.
What are the key properties of 3-(1,3-benzodioxol-5-yl)-5-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine?
3-(1,3-benzodioxol-5-yl)-5-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine has a molecular weight of 383.50 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-5-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 74778502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).