(8R)-8-(2-ethylpyrazol-3-yl)-6-azaspiro[3.4]octane

C12H19N3 — CID 125450720

IUPAC(8R)-8-(2-ethylpyrazol-3-yl)-6-azaspiro[3.4]octane
SMILESCCn1nccc1[C@H]1CNCC12CCC2
InChIInChI=1S/C12H19N3/c1-2-15-11(4-7-14-15)10-8-13-9-12(10)5-3-6-12/h4,7,10,13H,2-3,5-6,8-9H2,1H3/t10-/m1/s1
InChIKeyPUMGSAABTZATTD-SNVBAGLBSA-N
MW205.30 g/mol
LogP1.76
Rot. Bonds2

About (8R)-8-(2-ethylpyrazol-3-yl)-6-azaspiro[3.4]octane

(8R)-8-(2-ethylpyrazol-3-yl)-6-azaspiro[3.4]octane (PubChem CID 125450720) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is (8R)-8-(2-ethylpyrazol-3-yl)-6-azaspiro[3.4]octane.

Molecular Properties

Compound Name(8R)-8-(2-ethylpyrazol-3-yl)-6-azaspiro[3.4]octane
PubChem CID125450720
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name(8R)-8-(2-ethylpyrazol-3-yl)-6-azaspiro[3.4]octane
SMILESCCn1nccc1[C@H]1CNCC12CCC2
InChIInChI=1S/C12H19N3/c1-2-15-11(4-7-14-15)10-8-13-9-12(10)5-3-6-12/h4,7,10,13H,2-3,5-6,8-9H2,1H3/t10-/m1/s1
InChIKeyPUMGSAABTZATTD-SNVBAGLBSA-N
XLogP1.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8R)-8-(2-ethylpyrazol-3-yl)-6-azaspiro[3.4]octane?
The IUPAC name of (8R)-8-(2-ethylpyrazol-3-yl)-6-azaspiro[3.4]octane (CID 125450720) is (8R)-8-(2-ethylpyrazol-3-yl)-6-azaspiro[3.4]octane.
What is the SMILES notation for (8R)-8-(2-ethylpyrazol-3-yl)-6-azaspiro[3.4]octane?
The canonical SMILES for (8R)-8-(2-ethylpyrazol-3-yl)-6-azaspiro[3.4]octane is CCn1nccc1[C@H]1CNCC12CCC2.
What is the InChIKey of (8R)-8-(2-ethylpyrazol-3-yl)-6-azaspiro[3.4]octane?
The InChIKey is PUMGSAABTZATTD-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19N3/c1-2-15-11(4-7-14-15)10-8-13-9-12(10)5-3-6-12/h4,7,10,13H,2-3,5-6,8-9H2,1H3/t10-/m1/s1.
What are the key properties of (8R)-8-(2-ethylpyrazol-3-yl)-6-azaspiro[3.4]octane?
(8R)-8-(2-ethylpyrazol-3-yl)-6-azaspiro[3.4]octane has a molecular weight of 205.30 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-(2-ethylpyrazol-3-yl)-6-azaspiro[3.4]octane is sourced from PubChem (CID 125450720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).