(4aR,8aR)-5-ethyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline

C12H19N3 — CID 70313944

IUPAC(4aR,8aR)-5-ethyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline
SMILESCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@H]21
InChIInChI=1S/C12H19N3/c1-2-15-5-3-4-9-6-11-10(7-12(9)15)8-13-14-11/h8-9,12H,2-7H2,1H3,(H,13,14)/t9-,12-/m1/s1
InChIKeySJTKCAKKNWVKBS-BXKDBHETSA-N
MW205.30 g/mol
LogP1.61
Rot. Bonds1

About (4aR,8aR)-5-ethyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline

(4aR,8aR)-5-ethyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline (PubChem CID 70313944) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is (4aR,8aR)-5-ethyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline.

Molecular Properties

Compound Name(4aR,8aR)-5-ethyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline
PubChem CID70313944
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name(4aR,8aR)-5-ethyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline
SMILESCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@H]21
InChIInChI=1S/C12H19N3/c1-2-15-5-3-4-9-6-11-10(7-12(9)15)8-13-14-11/h8-9,12H,2-7H2,1H3,(H,13,14)/t9-,12-/m1/s1
InChIKeySJTKCAKKNWVKBS-BXKDBHETSA-N
XLogP1.61
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4aR,8aR)-5-ethyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4aR,8aR)-5-ethyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline?
The IUPAC name of (4aR,8aR)-5-ethyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline (CID 70313944) is (4aR,8aR)-5-ethyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline.
What is the SMILES notation for (4aR,8aR)-5-ethyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline?
The canonical SMILES for (4aR,8aR)-5-ethyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline is CCN1CCC[C@@H]2Cc3[nH]ncc3C[C@H]21.
What is the InChIKey of (4aR,8aR)-5-ethyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline?
The InChIKey is SJTKCAKKNWVKBS-BXKDBHETSA-N. The full InChI is InChI=1S/C12H19N3/c1-2-15-5-3-4-9-6-11-10(7-12(9)15)8-13-14-11/h8-9,12H,2-7H2,1H3,(H,13,14)/t9-,12-/m1/s1.
What are the key properties of (4aR,8aR)-5-ethyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline?
(4aR,8aR)-5-ethyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline has a molecular weight of 205.30 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aR)-5-ethyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline is sourced from PubChem (CID 70313944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).