2-[3-(2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethanol

C12H22N2O — CID 178046495

IUPAC2-[3-(2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethanol
SMILESCc1c(CCO)c(CC(C)(C)C)nn1C
InChIInChI=1S/C12H22N2O/c1-9-10(6-7-15)11(13-14(9)5)8-12(2,3)4/h15H,6-8H2,1-5H3
InChIKeyFTMIMSPJBLBIDK-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.85
Rot. Bonds3

About 2-[3-(2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethanol

2-[3-(2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethanol (PubChem CID 178046495) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-[3-(2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[3-(2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethanol
PubChem CID178046495
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-[3-(2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethanol
SMILESCc1c(CCO)c(CC(C)(C)C)nn1C
InChIInChI=1S/C12H22N2O/c1-9-10(6-7-15)11(13-14(9)5)8-12(2,3)4/h15H,6-8H2,1-5H3
InChIKeyFTMIMSPJBLBIDK-UHFFFAOYSA-N
XLogP1.85
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethanol?
The IUPAC name of 2-[3-(2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethanol (CID 178046495) is 2-[3-(2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[3-(2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethanol?
The canonical SMILES for 2-[3-(2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethanol is Cc1c(CCO)c(CC(C)(C)C)nn1C.
What is the InChIKey of 2-[3-(2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethanol?
The InChIKey is FTMIMSPJBLBIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9-10(6-7-15)11(13-14(9)5)8-12(2,3)4/h15H,6-8H2,1-5H3.
What are the key properties of 2-[3-(2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethanol?
2-[3-(2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethanol has a molecular weight of 210.32 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethanol is sourced from PubChem (CID 178046495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).