2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine

C15H25N3 — CID 106779982

IUPAC2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
SMILESCCc1cc(CC2CCC3CCCC3N2)n(C)n1
InChIInChI=1S/C15H25N3/c1-3-12-9-14(18(2)17-12)10-13-8-7-11-5-4-6-15(11)16-13/h9,11,13,15-16H,3-8,10H2,1-2H3
InChIKeyKTJAWHBGBQJHAD-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.45
Rot. Bonds3

About 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine

2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine (PubChem CID 106779982) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
PubChem CID106779982
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
SMILESCCc1cc(CC2CCC3CCCC3N2)n(C)n1
InChIInChI=1S/C15H25N3/c1-3-12-9-14(18(2)17-12)10-13-8-7-11-5-4-6-15(11)16-13/h9,11,13,15-16H,3-8,10H2,1-2H3
InChIKeyKTJAWHBGBQJHAD-UHFFFAOYSA-N
XLogP2.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine with MolForge

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Related Compounds

[2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopentyl]methanamine
CID 81009696
2-[(2-methyltetrazol-5-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 107054772
N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-2,5-dimethylpyrazol-3-amine
CID 103569096
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-(trifluoromethyl)piperidine
CID 106779970
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 115813447
N-[[2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81027589
2-[3-(3-ethyl-1-methylpyrazol-5-yl)-2-methylpropyl]piperidine
CID 112745787
[4-ethyl-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexyl]methanamine
CID 81012010
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 116586028
1-(2-aminocyclopentyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116580195
3-ethyl-1-methyl-5-[(2-methylpyrrolidin-2-yl)methyl]pyrazole
CID 66465542
1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclooctan-1-amine
CID 80603738

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
The IUPAC name of 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine (CID 106779982) is 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine.
What is the SMILES notation for 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
The canonical SMILES for 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine is CCc1cc(CC2CCC3CCCC3N2)n(C)n1.
What is the InChIKey of 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
The InChIKey is KTJAWHBGBQJHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-12-9-14(18(2)17-12)10-13-8-7-11-5-4-6-15(11)16-13/h9,11,13,15-16H,3-8,10H2,1-2H3.
What are the key properties of 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine has a molecular weight of 247.39 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine is sourced from PubChem (CID 106779982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).