7-(1-methylpyrazol-3-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

C11H17N3O2 — CID 171951809

IUPAC7-(1-methylpyrazol-3-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESCn1ccc(C2(O)CC3COCC(C2)N3)n1
InChIInChI=1S/C11H17N3O2/c1-14-3-2-10(13-14)11(15)4-8-6-16-7-9(5-11)12-8/h2-3,8-9,12,15H,4-7H2,1H3
InChIKeyRLDIJWNJHOYEOU-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.24
Rot. Bonds1

About 7-(1-methylpyrazol-3-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

7-(1-methylpyrazol-3-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (PubChem CID 171951809) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 7-(1-methylpyrazol-3-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.

Molecular Properties

Compound Name7-(1-methylpyrazol-3-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
PubChem CID171951809
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name7-(1-methylpyrazol-3-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESCn1ccc(C2(O)CC3COCC(C2)N3)n1
InChIInChI=1S/C11H17N3O2/c1-14-3-2-10(13-14)11(15)4-8-6-16-7-9(5-11)12-8/h2-3,8-9,12,15H,4-7H2,1H3
InChIKeyRLDIJWNJHOYEOU-UHFFFAOYSA-N
XLogP-0.24
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(1-methylpyrazol-3-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The IUPAC name of 7-(1-methylpyrazol-3-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (CID 171951809) is 7-(1-methylpyrazol-3-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.
What is the SMILES notation for 7-(1-methylpyrazol-3-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The canonical SMILES for 7-(1-methylpyrazol-3-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is Cn1ccc(C2(O)CC3COCC(C2)N3)n1.
What is the InChIKey of 7-(1-methylpyrazol-3-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The InChIKey is RLDIJWNJHOYEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-14-3-2-10(13-14)11(15)4-8-6-16-7-9(5-11)12-8/h2-3,8-9,12,15H,4-7H2,1H3.
What are the key properties of 7-(1-methylpyrazol-3-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
7-(1-methylpyrazol-3-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol has a molecular weight of 223.28 g/mol, XLogP of -0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methylpyrazol-3-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is sourced from PubChem (CID 171951809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).