5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline

C13H21N3 — CID 1257

IUPAC5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline
SMILESCCCN1CCCC2Cc3[nH]ncc3CC21
InChIInChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)
InChIKeyFTSUPYGMFAPCFZ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.00
Rot. Bonds2

About 5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline

5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline (PubChem CID 1257) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline.

Molecular Properties

Compound Name5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline
PubChem CID1257
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline
SMILESCCCN1CCCC2Cc3[nH]ncc3CC21
InChIInChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)
InChIKeyFTSUPYGMFAPCFZ-UHFFFAOYSA-N
XLogP2.00
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline?
The IUPAC name of 5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline (CID 1257) is 5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline.
What is the SMILES notation for 5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline?
The canonical SMILES for 5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline is CCCN1CCCC2Cc3[nH]ncc3CC21.
What is the InChIKey of 5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline?
The InChIKey is FTSUPYGMFAPCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15).
What are the key properties of 5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline?
5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline has a molecular weight of 219.33 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline is sourced from PubChem (CID 1257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).