(5S,9S)-7-[(1-methylpyrazol-3-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-9-ol

C12H19N3O2 — CID 110155794

IUPAC(5S,9S)-7-[(1-methylpyrazol-3-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-9-ol
SMILESCn1ccc(CN2C[C@H](O)[C@]3(CCCO3)C2)n1
InChIInChI=1S/C12H19N3O2/c1-14-5-3-10(13-14)7-15-8-11(16)12(9-15)4-2-6-17-12/h3,5,11,16H,2,4,6-9H2,1H3/t11-,12-/m0/s1
InChIKeySSLJNNCVWBSTTP-RYUDHWBXSA-N
MW237.30 g/mol
LogP0.15
Rot. Bonds2

About (5S,9S)-7-[(1-methylpyrazol-3-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-9-ol

(5S,9S)-7-[(1-methylpyrazol-3-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-9-ol (PubChem CID 110155794) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is (5S,9S)-7-[(1-methylpyrazol-3-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-9-ol.

Molecular Properties

Compound Name(5S,9S)-7-[(1-methylpyrazol-3-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-9-ol
PubChem CID110155794
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name(5S,9S)-7-[(1-methylpyrazol-3-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-9-ol
SMILESCn1ccc(CN2C[C@H](O)[C@]3(CCCO3)C2)n1
InChIInChI=1S/C12H19N3O2/c1-14-5-3-10(13-14)7-15-8-11(16)12(9-15)4-2-6-17-12/h3,5,11,16H,2,4,6-9H2,1H3/t11-,12-/m0/s1
InChIKeySSLJNNCVWBSTTP-RYUDHWBXSA-N
XLogP0.15
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S,9S)-7-[(1-methylpyrazol-3-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-9-ol?
The IUPAC name of (5S,9S)-7-[(1-methylpyrazol-3-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-9-ol (CID 110155794) is (5S,9S)-7-[(1-methylpyrazol-3-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-9-ol.
What is the SMILES notation for (5S,9S)-7-[(1-methylpyrazol-3-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-9-ol?
The canonical SMILES for (5S,9S)-7-[(1-methylpyrazol-3-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-9-ol is Cn1ccc(CN2C[C@H](O)[C@]3(CCCO3)C2)n1.
What is the InChIKey of (5S,9S)-7-[(1-methylpyrazol-3-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-9-ol?
The InChIKey is SSLJNNCVWBSTTP-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-14-5-3-10(13-14)7-15-8-11(16)12(9-15)4-2-6-17-12/h3,5,11,16H,2,4,6-9H2,1H3/t11-,12-/m0/s1.
What are the key properties of (5S,9S)-7-[(1-methylpyrazol-3-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-9-ol?
(5S,9S)-7-[(1-methylpyrazol-3-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-9-ol has a molecular weight of 237.30 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-7-[(1-methylpyrazol-3-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-9-ol is sourced from PubChem (CID 110155794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).