1-[(3,5-dimethylpyrazol-1-yl)methyl]-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane

C12H21GeN3O3 — CID 16684629

IUPAC1-[(3,5-dimethylpyrazol-1-yl)methyl]-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane
SMILESCc1cc(C)n(C[Ge]23OCCN(CCO2)CCO3)n1
InChIInChI=1S/C12H21GeN3O3/c1-11-9-12(2)16(14-11)10-13-17-6-3-15(4-7-18-13)5-8-19-13/h9H,3-8,10H2,1-2H3
InChIKeyCMFFMVKUSBIGGV-UHFFFAOYSA-N
MW327.93 g/mol
LogP0.36
Rot. Bonds2

About 1-[(3,5-dimethylpyrazol-1-yl)methyl]-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane

1-[(3,5-dimethylpyrazol-1-yl)methyl]-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane (PubChem CID 16684629) has the molecular formula C12H21GeN3O3 and a molecular weight of 327.93 g/mol. Its IUPAC name is 1-[(3,5-dimethylpyrazol-1-yl)methyl]-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane.

Molecular Properties

Compound Name1-[(3,5-dimethylpyrazol-1-yl)methyl]-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane
PubChem CID16684629
Molecular FormulaC12H21GeN3O3
Molecular Weight327.93 g/mol
Exact Mass329.08
IUPAC Name1-[(3,5-dimethylpyrazol-1-yl)methyl]-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane
SMILESCc1cc(C)n(C[Ge]23OCCN(CCO2)CCO3)n1
InChIInChI=1S/C12H21GeN3O3/c1-11-9-12(2)16(14-11)10-13-17-6-3-15(4-7-18-13)5-8-19-13/h9H,3-8,10H2,1-2H3
InChIKeyCMFFMVKUSBIGGV-UHFFFAOYSA-N
XLogP0.36
TPSA48.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.93
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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1-(2-Methoxyethyl)-5-methyl-3-(trifluoromethyl)pyrazole
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1-(2-Fluoro-3-methoxypropyl)-3,5-dimethylpyrazole
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(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-ol
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3,5-Dimethyl-1-[2-(trifluoromethoxy)ethyl]pyrazole
CID 65806141
1-[2-(3,5-Dimethylpyrazolyl)ethoxy]prop-2-ene
CID 3149351
1-(3,5-Dimethylpyrazol-1-yl)propoxy-trimethylsilane
CID 10609313
2-hydroxy-5,7-dimethyl-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-4-ium chloride
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1-(3,5-Dimethyl-1H-pyrazol-1-yl)propan-1-ol
CID 10558833
1-(2-Ethoxyethyl)-3,5-dimethyl-1H-pyrazole
CID 15154386

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylpyrazol-1-yl)methyl]-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane?
The IUPAC name of 1-[(3,5-dimethylpyrazol-1-yl)methyl]-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane (CID 16684629) is 1-[(3,5-dimethylpyrazol-1-yl)methyl]-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane.
What is the SMILES notation for 1-[(3,5-dimethylpyrazol-1-yl)methyl]-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane?
The canonical SMILES for 1-[(3,5-dimethylpyrazol-1-yl)methyl]-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane is Cc1cc(C)n(C[Ge]23OCCN(CCO2)CCO3)n1.
What is the InChIKey of 1-[(3,5-dimethylpyrazol-1-yl)methyl]-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane?
The InChIKey is CMFFMVKUSBIGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21GeN3O3/c1-11-9-12(2)16(14-11)10-13-17-6-3-15(4-7-18-13)5-8-19-13/h9H,3-8,10H2,1-2H3.
What are the key properties of 1-[(3,5-dimethylpyrazol-1-yl)methyl]-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane?
1-[(3,5-dimethylpyrazol-1-yl)methyl]-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane has a molecular weight of 327.93 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylpyrazol-1-yl)methyl]-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane is sourced from PubChem (CID 16684629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).