(8R)-8-[2-(2-methylpropyl)pyrazol-3-yl]-6-azaspiro[3.4]octan-5-one

C14H21N3O — CID 125452357

IUPAC(8R)-8-[2-(2-methylpropyl)pyrazol-3-yl]-6-azaspiro[3.4]octan-5-one
SMILESCC(C)Cn1nccc1[C@H]1CNC(=O)C12CCC2
InChIInChI=1S/C14H21N3O/c1-10(2)9-17-12(4-7-16-17)11-8-15-13(18)14(11)5-3-6-14/h4,7,10-11H,3,5-6,8-9H2,1-2H3,(H,15,18)/t11-/m1/s1
InChIKeyJBFFSHFSDYVLNB-LLVKDONJSA-N
MW247.34 g/mol
LogP1.92
Rot. Bonds3

About (8R)-8-[2-(2-methylpropyl)pyrazol-3-yl]-6-azaspiro[3.4]octan-5-one

(8R)-8-[2-(2-methylpropyl)pyrazol-3-yl]-6-azaspiro[3.4]octan-5-one (PubChem CID 125452357) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (8R)-8-[2-(2-methylpropyl)pyrazol-3-yl]-6-azaspiro[3.4]octan-5-one.

Molecular Properties

Compound Name(8R)-8-[2-(2-methylpropyl)pyrazol-3-yl]-6-azaspiro[3.4]octan-5-one
PubChem CID125452357
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(8R)-8-[2-(2-methylpropyl)pyrazol-3-yl]-6-azaspiro[3.4]octan-5-one
SMILESCC(C)Cn1nccc1[C@H]1CNC(=O)C12CCC2
InChIInChI=1S/C14H21N3O/c1-10(2)9-17-12(4-7-16-17)11-8-15-13(18)14(11)5-3-6-14/h4,7,10-11H,3,5-6,8-9H2,1-2H3,(H,15,18)/t11-/m1/s1
InChIKeyJBFFSHFSDYVLNB-LLVKDONJSA-N
XLogP1.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8R)-8-[2-(2-methylpropyl)pyrazol-3-yl]-6-azaspiro[3.4]octan-5-one?
The IUPAC name of (8R)-8-[2-(2-methylpropyl)pyrazol-3-yl]-6-azaspiro[3.4]octan-5-one (CID 125452357) is (8R)-8-[2-(2-methylpropyl)pyrazol-3-yl]-6-azaspiro[3.4]octan-5-one.
What is the SMILES notation for (8R)-8-[2-(2-methylpropyl)pyrazol-3-yl]-6-azaspiro[3.4]octan-5-one?
The canonical SMILES for (8R)-8-[2-(2-methylpropyl)pyrazol-3-yl]-6-azaspiro[3.4]octan-5-one is CC(C)Cn1nccc1[C@H]1CNC(=O)C12CCC2.
What is the InChIKey of (8R)-8-[2-(2-methylpropyl)pyrazol-3-yl]-6-azaspiro[3.4]octan-5-one?
The InChIKey is JBFFSHFSDYVLNB-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10(2)9-17-12(4-7-16-17)11-8-15-13(18)14(11)5-3-6-14/h4,7,10-11H,3,5-6,8-9H2,1-2H3,(H,15,18)/t11-/m1/s1.
What are the key properties of (8R)-8-[2-(2-methylpropyl)pyrazol-3-yl]-6-azaspiro[3.4]octan-5-one?
(8R)-8-[2-(2-methylpropyl)pyrazol-3-yl]-6-azaspiro[3.4]octan-5-one has a molecular weight of 247.34 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-[2-(2-methylpropyl)pyrazol-3-yl]-6-azaspiro[3.4]octan-5-one is sourced from PubChem (CID 125452357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).