(4R)-4-(2-propylpyrazol-3-yl)-2-azaspiro[4.4]nonan-1-one

C14H21N3O — CID 125452404

IUPAC(4R)-4-(2-propylpyrazol-3-yl)-2-azaspiro[4.4]nonan-1-one
SMILESCCCn1nccc1[C@H]1CNC(=O)C12CCCC2
InChIInChI=1S/C14H21N3O/c1-2-9-17-12(5-8-16-17)11-10-15-13(18)14(11)6-3-4-7-14/h5,8,11H,2-4,6-7,9-10H2,1H3,(H,15,18)/t11-/m1/s1
InChIKeyJHEISGABXKQJAY-LLVKDONJSA-N
MW247.34 g/mol
LogP2.07
Rot. Bonds3

About (4R)-4-(2-propylpyrazol-3-yl)-2-azaspiro[4.4]nonan-1-one

(4R)-4-(2-propylpyrazol-3-yl)-2-azaspiro[4.4]nonan-1-one (PubChem CID 125452404) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (4R)-4-(2-propylpyrazol-3-yl)-2-azaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(4R)-4-(2-propylpyrazol-3-yl)-2-azaspiro[4.4]nonan-1-one
PubChem CID125452404
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(4R)-4-(2-propylpyrazol-3-yl)-2-azaspiro[4.4]nonan-1-one
SMILESCCCn1nccc1[C@H]1CNC(=O)C12CCCC2
InChIInChI=1S/C14H21N3O/c1-2-9-17-12(5-8-16-17)11-10-15-13(18)14(11)6-3-4-7-14/h5,8,11H,2-4,6-7,9-10H2,1H3,(H,15,18)/t11-/m1/s1
InChIKeyJHEISGABXKQJAY-LLVKDONJSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-propylpyrazol-3-yl)-2-azaspiro[4.4]nonan-1-one?
The IUPAC name of (4R)-4-(2-propylpyrazol-3-yl)-2-azaspiro[4.4]nonan-1-one (CID 125452404) is (4R)-4-(2-propylpyrazol-3-yl)-2-azaspiro[4.4]nonan-1-one.
What is the SMILES notation for (4R)-4-(2-propylpyrazol-3-yl)-2-azaspiro[4.4]nonan-1-one?
The canonical SMILES for (4R)-4-(2-propylpyrazol-3-yl)-2-azaspiro[4.4]nonan-1-one is CCCn1nccc1[C@H]1CNC(=O)C12CCCC2.
What is the InChIKey of (4R)-4-(2-propylpyrazol-3-yl)-2-azaspiro[4.4]nonan-1-one?
The InChIKey is JHEISGABXKQJAY-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-9-17-12(5-8-16-17)11-10-15-13(18)14(11)6-3-4-7-14/h5,8,11H,2-4,6-7,9-10H2,1H3,(H,15,18)/t11-/m1/s1.
What are the key properties of (4R)-4-(2-propylpyrazol-3-yl)-2-azaspiro[4.4]nonan-1-one?
(4R)-4-(2-propylpyrazol-3-yl)-2-azaspiro[4.4]nonan-1-one has a molecular weight of 247.34 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-propylpyrazol-3-yl)-2-azaspiro[4.4]nonan-1-one is sourced from PubChem (CID 125452404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).