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

C17H27N3O2 — CID 164633840

IUPAC(1-ethylpyrazol-3-yl)-[(3S)-3-hydroxy-3-propyl-7-azaspiro[3.5]nonan-7-yl]methanone
SMILESCCC[C@]1(O)CCC12CCN(C(=O)c1ccn(CC)n1)CC2
InChIInChI=1S/C17H27N3O2/c1-3-6-17(22)8-7-16(17)9-12-19(13-10-16)15(21)14-5-11-20(4-2)18-14/h5,11,22H,3-4,6-10,12-13H2,1-2H3/t17-/m0/s1
InChIKeyNRWORGQHNBBRSV-KRWDZBQOSA-N
MW305.42 g/mol
LogP2.45
Rot. Bonds4

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

(1-ethylpyrazol-3-yl)-[(3S)-3-hydroxy-3-propyl-7-azaspiro[3.5]nonan-7-yl]methanone (PubChem CID 164633840) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is (1-ethylpyrazol-3-yl)-[(3S)-3-hydroxy-3-propyl-7-azaspiro[3.5]nonan-7-yl]methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-3-yl)-[(3S)-3-hydroxy-3-propyl-7-azaspiro[3.5]nonan-7-yl]methanone
PubChem CID164633840
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name(1-ethylpyrazol-3-yl)-[(3S)-3-hydroxy-3-propyl-7-azaspiro[3.5]nonan-7-yl]methanone
SMILESCCC[C@]1(O)CCC12CCN(C(=O)c1ccn(CC)n1)CC2
InChIInChI=1S/C17H27N3O2/c1-3-6-17(22)8-7-16(17)9-12-19(13-10-16)15(21)14-5-11-20(4-2)18-14/h5,11,22H,3-4,6-10,12-13H2,1-2H3/t17-/m0/s1
InChIKeyNRWORGQHNBBRSV-KRWDZBQOSA-N
XLogP2.45
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-3-yl)-[(3S)-3-hydroxy-3-propyl-7-azaspiro[3.5]nonan-7-yl]methanone?
The IUPAC name of (1-ethylpyrazol-3-yl)-[(3S)-3-hydroxy-3-propyl-7-azaspiro[3.5]nonan-7-yl]methanone (CID 164633840) is (1-ethylpyrazol-3-yl)-[(3S)-3-hydroxy-3-propyl-7-azaspiro[3.5]nonan-7-yl]methanone.
What is the SMILES notation for (1-ethylpyrazol-3-yl)-[(3S)-3-hydroxy-3-propyl-7-azaspiro[3.5]nonan-7-yl]methanone?
The canonical SMILES for (1-ethylpyrazol-3-yl)-[(3S)-3-hydroxy-3-propyl-7-azaspiro[3.5]nonan-7-yl]methanone is CCC[C@]1(O)CCC12CCN(C(=O)c1ccn(CC)n1)CC2.
What is the InChIKey of (1-ethylpyrazol-3-yl)-[(3S)-3-hydroxy-3-propyl-7-azaspiro[3.5]nonan-7-yl]methanone?
The InChIKey is NRWORGQHNBBRSV-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-3-6-17(22)8-7-16(17)9-12-19(13-10-16)15(21)14-5-11-20(4-2)18-14/h5,11,22H,3-4,6-10,12-13H2,1-2H3/t17-/m0/s1.
What are the key properties of (1-ethylpyrazol-3-yl)-[(3S)-3-hydroxy-3-propyl-7-azaspiro[3.5]nonan-7-yl]methanone?
(1-ethylpyrazol-3-yl)-[(3S)-3-hydroxy-3-propyl-7-azaspiro[3.5]nonan-7-yl]methanone has a molecular weight of 305.42 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-3-yl)-[(3S)-3-hydroxy-3-propyl-7-azaspiro[3.5]nonan-7-yl]methanone is sourced from PubChem (CID 164633840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).