2-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol

C15H26N4O — CID 81096185

IUPAC2-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
SMILESCn1cc(C(CN)N2CCC3(O)CCCCC3C2)cn1
InChIInChI=1S/C15H26N4O/c1-18-10-12(9-17-18)14(8-16)19-7-6-15(20)5-3-2-4-13(15)11-19/h9-10,13-14,20H,2-8,11,16H2,1H3
InChIKeySNOIXCUKGZCACR-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.05
Rot. Bonds3

About 2-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol

2-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol (PubChem CID 81096185) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol.

Molecular Properties

Compound Name2-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
PubChem CID81096185
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
SMILESCn1cc(C(CN)N2CCC3(O)CCCCC3C2)cn1
InChIInChI=1S/C15H26N4O/c1-18-10-12(9-17-18)14(8-16)19-7-6-15(20)5-3-2-4-13(15)11-19/h9-10,13-14,20H,2-8,11,16H2,1H3
InChIKeySNOIXCUKGZCACR-UHFFFAOYSA-N
XLogP1.05
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol with MolForge

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Related Compounds

1-[1-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanol
CID 112624618
2-(4,4-diethylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 63157076
2-(4-aminobutan-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81098279
[4-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]morpholin-2-yl]methanol
CID 81206453
2-(1-ethylpyrazol-4-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 103569678
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(1-propylpyrazol-4-yl)ethanamine
CID 103571951
1-[2-amino-1-(1-ethylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 103569603
2-[6-(aminomethyl)-3-pyridinyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 115487103
2-(2-propylpiperidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine
CID 103571978
2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-N-pentan-3-ylpropanamide
CID 81108187
2-(3,3-dimethylpiperidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine
CID 103571894
1-[(1S,5R)-8-hydroxy-8-bicyclo[3.2.1]octanyl]-2-(1-methylpyrazol-4-yl)ethane-1,2-diol
CID 166736155

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
The IUPAC name of 2-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol (CID 81096185) is 2-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol.
What is the SMILES notation for 2-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
The canonical SMILES for 2-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol is Cn1cc(C(CN)N2CCC3(O)CCCCC3C2)cn1.
What is the InChIKey of 2-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
The InChIKey is SNOIXCUKGZCACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-18-10-12(9-17-18)14(8-16)19-7-6-15(20)5-3-2-4-13(15)11-19/h9-10,13-14,20H,2-8,11,16H2,1H3.
What are the key properties of 2-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
2-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol has a molecular weight of 278.40 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol is sourced from PubChem (CID 81096185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).