1-(3,4-dimethylpyrazol-1-yl)-2-methylpropan-2-ol;ethane

C13H28N2O — CID 144607283

IUPAC1-(3,4-dimethylpyrazol-1-yl)-2-methylpropan-2-ol;ethane
SMILESCC.CC.Cc1cn(CC(C)(C)O)nc1C
InChIInChI=1S/C9H16N2O.2C2H6/c1-7-5-11(10-8(7)2)6-9(3,4)12;2*1-2/h5,12H,6H2,1-4H3;2*1-2H3
InChIKeySXONDIRHTSUEMY-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.32
Rot. Bonds2

About 1-(3,4-dimethylpyrazol-1-yl)-2-methylpropan-2-ol;ethane

1-(3,4-dimethylpyrazol-1-yl)-2-methylpropan-2-ol;ethane (PubChem CID 144607283) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-(3,4-dimethylpyrazol-1-yl)-2-methylpropan-2-ol;ethane.

Molecular Properties

Compound Name1-(3,4-dimethylpyrazol-1-yl)-2-methylpropan-2-ol;ethane
PubChem CID144607283
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-(3,4-dimethylpyrazol-1-yl)-2-methylpropan-2-ol;ethane
SMILESCC.CC.Cc1cn(CC(C)(C)O)nc1C
InChIInChI=1S/C9H16N2O.2C2H6/c1-7-5-11(10-8(7)2)6-9(3,4)12;2*1-2/h5,12H,6H2,1-4H3;2*1-2H3
InChIKeySXONDIRHTSUEMY-UHFFFAOYSA-N
XLogP3.32
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylpyrazol-1-yl)-2-methylpropan-2-ol;ethane?
The IUPAC name of 1-(3,4-dimethylpyrazol-1-yl)-2-methylpropan-2-ol;ethane (CID 144607283) is 1-(3,4-dimethylpyrazol-1-yl)-2-methylpropan-2-ol;ethane.
What is the SMILES notation for 1-(3,4-dimethylpyrazol-1-yl)-2-methylpropan-2-ol;ethane?
The canonical SMILES for 1-(3,4-dimethylpyrazol-1-yl)-2-methylpropan-2-ol;ethane is CC.CC.Cc1cn(CC(C)(C)O)nc1C.
What is the InChIKey of 1-(3,4-dimethylpyrazol-1-yl)-2-methylpropan-2-ol;ethane?
The InChIKey is SXONDIRHTSUEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O.2C2H6/c1-7-5-11(10-8(7)2)6-9(3,4)12;2*1-2/h5,12H,6H2,1-4H3;2*1-2H3.
What are the key properties of 1-(3,4-dimethylpyrazol-1-yl)-2-methylpropan-2-ol;ethane?
1-(3,4-dimethylpyrazol-1-yl)-2-methylpropan-2-ol;ethane has a molecular weight of 228.38 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylpyrazol-1-yl)-2-methylpropan-2-ol;ethane is sourced from PubChem (CID 144607283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).