9-benzyl-7-(1,3-dimethylpyrazol-4-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

C19H25N3O2 — CID 171959441

IUPAC9-benzyl-7-(1,3-dimethylpyrazol-4-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESCc1nn(C)cc1C1(O)CC2COCC(C1)N2Cc1ccccc1
InChIInChI=1S/C19H25N3O2/c1-14-18(11-21(2)20-14)19(23)8-16-12-24-13-17(9-19)22(16)10-15-6-4-3-5-7-15/h3-7,11,16-17,23H,8-10,12-13H2,1-2H3
InChIKeyJFYHIPDHNVWODL-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.98
Rot. Bonds3

About 9-benzyl-7-(1,3-dimethylpyrazol-4-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

9-benzyl-7-(1,3-dimethylpyrazol-4-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (PubChem CID 171959441) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 9-benzyl-7-(1,3-dimethylpyrazol-4-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.

Molecular Properties

Compound Name9-benzyl-7-(1,3-dimethylpyrazol-4-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
PubChem CID171959441
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name9-benzyl-7-(1,3-dimethylpyrazol-4-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESCc1nn(C)cc1C1(O)CC2COCC(C1)N2Cc1ccccc1
InChIInChI=1S/C19H25N3O2/c1-14-18(11-21(2)20-14)19(23)8-16-12-24-13-17(9-19)22(16)10-15-6-4-3-5-7-15/h3-7,11,16-17,23H,8-10,12-13H2,1-2H3
InChIKeyJFYHIPDHNVWODL-UHFFFAOYSA-N
XLogP1.98
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 9-benzyl-7-(1,3-dimethylpyrazol-4-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol with MolForge

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Related Compounds

9-benzyl-7-(2,6-dimethyl-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171957910
9-benzyl-7-(2-propan-2-ylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171961994
9-benzyl-7-(2-ethylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171958762
9-benzyl-7-(3-methyl-2-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171964493
9-benzyl-7-[2,6-di(propan-2-yl)phenyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171957196
9-benzyl-7-(2,5-difluorophenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171958616
9-benzyl-7-cyclopropyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171953238
9-benzyl-7-(3-methylbut-2-en-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171952918
9-benzyl-7-(4-fluorophenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171965074
9-benzyl-7-(1,2-oxazol-4-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171952968
9-benzyl-7-(3,5-difluorophenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171958520
9-benzyl-7-(2,2-dimethylpropyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171952771

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-7-(1,3-dimethylpyrazol-4-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The IUPAC name of 9-benzyl-7-(1,3-dimethylpyrazol-4-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (CID 171959441) is 9-benzyl-7-(1,3-dimethylpyrazol-4-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.
What is the SMILES notation for 9-benzyl-7-(1,3-dimethylpyrazol-4-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The canonical SMILES for 9-benzyl-7-(1,3-dimethylpyrazol-4-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is Cc1nn(C)cc1C1(O)CC2COCC(C1)N2Cc1ccccc1.
What is the InChIKey of 9-benzyl-7-(1,3-dimethylpyrazol-4-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The InChIKey is JFYHIPDHNVWODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14-18(11-21(2)20-14)19(23)8-16-12-24-13-17(9-19)22(16)10-15-6-4-3-5-7-15/h3-7,11,16-17,23H,8-10,12-13H2,1-2H3.
What are the key properties of 9-benzyl-7-(1,3-dimethylpyrazol-4-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
9-benzyl-7-(1,3-dimethylpyrazol-4-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol has a molecular weight of 327.43 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-7-(1,3-dimethylpyrazol-4-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is sourced from PubChem (CID 171959441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).