(3-ethyl-3-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(1-ethylpyrazol-3-yl)methanone

C16H25N3O2 — CID 110198007

IUPAC(3-ethyl-3-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(1-ethylpyrazol-3-yl)methanone
SMILESCCn1ccc(C(=O)N2CCC3(CC2)CCC3(O)CC)n1
InChIInChI=1S/C16H25N3O2/c1-3-16(21)7-6-15(16)8-11-18(12-9-15)14(20)13-5-10-19(4-2)17-13/h5,10,21H,3-4,6-9,11-12H2,1-2H3
InChIKeyFCAUYLCOIDHYEE-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.06
Rot. Bonds3

About (3-ethyl-3-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(1-ethylpyrazol-3-yl)methanone

(3-ethyl-3-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(1-ethylpyrazol-3-yl)methanone (PubChem CID 110198007) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is (3-ethyl-3-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(1-ethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(3-ethyl-3-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(1-ethylpyrazol-3-yl)methanone
PubChem CID110198007
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name(3-ethyl-3-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(1-ethylpyrazol-3-yl)methanone
SMILESCCn1ccc(C(=O)N2CCC3(CC2)CCC3(O)CC)n1
InChIInChI=1S/C16H25N3O2/c1-3-16(21)7-6-15(16)8-11-18(12-9-15)14(20)13-5-10-19(4-2)17-13/h5,10,21H,3-4,6-9,11-12H2,1-2H3
InChIKeyFCAUYLCOIDHYEE-UHFFFAOYSA-N
XLogP2.06
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-3-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(1-ethylpyrazol-3-yl)methanone?
The IUPAC name of (3-ethyl-3-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(1-ethylpyrazol-3-yl)methanone (CID 110198007) is (3-ethyl-3-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(1-ethylpyrazol-3-yl)methanone.
What is the SMILES notation for (3-ethyl-3-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(1-ethylpyrazol-3-yl)methanone?
The canonical SMILES for (3-ethyl-3-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(1-ethylpyrazol-3-yl)methanone is CCn1ccc(C(=O)N2CCC3(CC2)CCC3(O)CC)n1.
What is the InChIKey of (3-ethyl-3-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(1-ethylpyrazol-3-yl)methanone?
The InChIKey is FCAUYLCOIDHYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-16(21)7-6-15(16)8-11-18(12-9-15)14(20)13-5-10-19(4-2)17-13/h5,10,21H,3-4,6-9,11-12H2,1-2H3.
What are the key properties of (3-ethyl-3-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(1-ethylpyrazol-3-yl)methanone?
(3-ethyl-3-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(1-ethylpyrazol-3-yl)methanone has a molecular weight of 291.39 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-3-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(1-ethylpyrazol-3-yl)methanone is sourced from PubChem (CID 110198007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).