7-(4-methylpyrazol-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine

C12H19N3 — CID 155458905

IUPAC7-(4-methylpyrazol-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCc1cnn(C2CCN3CCCC3C2)c1
InChIInChI=1S/C12H19N3/c1-10-8-13-15(9-10)12-4-6-14-5-2-3-11(14)7-12/h8-9,11-12H,2-7H2,1H3
InChIKeyHGCDJRWPZKJZIZ-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.99
Rot. Bonds1

About 7-(4-methylpyrazol-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine

7-(4-methylpyrazol-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 155458905) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 7-(4-methylpyrazol-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name7-(4-methylpyrazol-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID155458905
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name7-(4-methylpyrazol-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCc1cnn(C2CCN3CCCC3C2)c1
InChIInChI=1S/C12H19N3/c1-10-8-13-15(9-10)12-4-6-14-5-2-3-11(14)7-12/h8-9,11-12H,2-7H2,1H3
InChIKeyHGCDJRWPZKJZIZ-UHFFFAOYSA-N
XLogP1.99
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methylpyrazol-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of 7-(4-methylpyrazol-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 155458905) is 7-(4-methylpyrazol-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for 7-(4-methylpyrazol-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for 7-(4-methylpyrazol-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine is Cc1cnn(C2CCN3CCCC3C2)c1.
What is the InChIKey of 7-(4-methylpyrazol-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is HGCDJRWPZKJZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-10-8-13-15(9-10)12-4-6-14-5-2-3-11(14)7-12/h8-9,11-12H,2-7H2,1H3.
What are the key properties of 7-(4-methylpyrazol-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
7-(4-methylpyrazol-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 205.30 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylpyrazol-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 155458905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).