3-(1-ethylpyrazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-ol

C13H21N3O — CID 171964852

IUPAC3-(1-ethylpyrazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCCn1cc(C2(O)CC3CCCC(C2)N3)cn1
InChIInChI=1S/C13H21N3O/c1-2-16-9-10(8-14-16)13(17)6-11-4-3-5-12(7-13)15-11/h8-9,11-12,15,17H,2-7H2,1H3
InChIKeyBDBMGYVGSKXZMT-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.40
Rot. Bonds2

About 3-(1-ethylpyrazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-ol

3-(1-ethylpyrazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171964852) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(1-ethylpyrazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name3-(1-ethylpyrazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171964852
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-(1-ethylpyrazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCCn1cc(C2(O)CC3CCCC(C2)N3)cn1
InChIInChI=1S/C13H21N3O/c1-2-16-9-10(8-14-16)13(17)6-11-4-3-5-12(7-13)15-11/h8-9,11-12,15,17H,2-7H2,1H3
InChIKeyBDBMGYVGSKXZMT-UHFFFAOYSA-N
XLogP1.40
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylpyrazol-4-yl)-3,5-dimethylcyclohexan-1-ol
CID 64737522
3-[(1-ethylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63585891
3-(2-ethoxypyrimidin-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171961001
1-cyclopropyl-3-(1-ethylpyrazol-4-yl)pyrrolidin-3-ol
CID 62975249
9-oxo-3-(1-propylpyrazol-4-yl)-9λ4-thiabicyclo[3.3.1]nonan-3-ol
CID 171958253
1-(1-ethylpyrazol-4-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82856639
3-(3-methylimidazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171951752
3-(1-methylpyrazol-4-yl)-9-thiabicyclo[3.3.1]nonan-3-ol
CID 171951782
4-(3-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl)benzonitrile
CID 171957923
3-(1-ethylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63975851
2-(1-ethylpyrazol-4-yl)-2-propan-2-ylazepane
CID 79117229
3-(3-tert-butylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171955385

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpyrazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 3-(1-ethylpyrazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-ol (CID 171964852) is 3-(1-ethylpyrazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 3-(1-ethylpyrazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 3-(1-ethylpyrazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-ol is CCn1cc(C2(O)CC3CCCC(C2)N3)cn1.
What is the InChIKey of 3-(1-ethylpyrazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is BDBMGYVGSKXZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-16-9-10(8-14-16)13(17)6-11-4-3-5-12(7-13)15-11/h8-9,11-12,15,17H,2-7H2,1H3.
What are the key properties of 3-(1-ethylpyrazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-ol?
3-(1-ethylpyrazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 235.33 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpyrazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171964852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).