1-spiro[4.5]decan-8-ylpyrazole

C13H20N2 — CID 142729641

IUPAC1-spiro[4.5]decan-8-ylpyrazole
SMILESc1cnn(C2CCC3(CCCC3)CC2)c1
InChIInChI=1S/C13H20N2/c1-2-7-13(6-1)8-4-12(5-9-13)15-11-3-10-14-15/h3,10-12H,1-2,4-9H2
InChIKeyHXUVKGHYADOVRK-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.56
Rot. Bonds1

About 1-spiro[4.5]decan-8-ylpyrazole

1-spiro[4.5]decan-8-ylpyrazole (PubChem CID 142729641) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-spiro[4.5]decan-8-ylpyrazole.

Molecular Properties

Compound Name1-spiro[4.5]decan-8-ylpyrazole
PubChem CID142729641
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-spiro[4.5]decan-8-ylpyrazole
SMILESc1cnn(C2CCC3(CCCC3)CC2)c1
InChIInChI=1S/C13H20N2/c1-2-7-13(6-1)8-4-12(5-9-13)15-11-3-10-14-15/h3,10-12H,1-2,4-9H2
InChIKeyHXUVKGHYADOVRK-UHFFFAOYSA-N
XLogP3.56
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-spiro[4.5]decan-8-ylpyrazole?
The IUPAC name of 1-spiro[4.5]decan-8-ylpyrazole (CID 142729641) is 1-spiro[4.5]decan-8-ylpyrazole.
What is the SMILES notation for 1-spiro[4.5]decan-8-ylpyrazole?
The canonical SMILES for 1-spiro[4.5]decan-8-ylpyrazole is c1cnn(C2CCC3(CCCC3)CC2)c1.
What is the InChIKey of 1-spiro[4.5]decan-8-ylpyrazole?
The InChIKey is HXUVKGHYADOVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-2-7-13(6-1)8-4-12(5-9-13)15-11-3-10-14-15/h3,10-12H,1-2,4-9H2.
What are the key properties of 1-spiro[4.5]decan-8-ylpyrazole?
1-spiro[4.5]decan-8-ylpyrazole has a molecular weight of 204.32 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-spiro[4.5]decan-8-ylpyrazole is sourced from PubChem (CID 142729641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).