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

C12H22N2O — CID 178046485

IUPAC2-[2-(2,2-dimethylpropyl)-4,5-dimethylpyrazol-3-yl]ethanol
SMILESCc1nn(CC(C)(C)C)c(CCO)c1C
InChIInChI=1S/C12H22N2O/c1-9-10(2)13-14(8-12(3,4)5)11(9)6-7-15/h15H,6-8H2,1-5H3
InChIKeyNUMLOVXUFKRACU-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.08
Rot. Bonds3

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

2-[2-(2,2-dimethylpropyl)-4,5-dimethylpyrazol-3-yl]ethanol (PubChem CID 178046485) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-[2-(2,2-dimethylpropyl)-4,5-dimethylpyrazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[2-(2,2-dimethylpropyl)-4,5-dimethylpyrazol-3-yl]ethanol
PubChem CID178046485
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-[2-(2,2-dimethylpropyl)-4,5-dimethylpyrazol-3-yl]ethanol
SMILESCc1nn(CC(C)(C)C)c(CCO)c1C
InChIInChI=1S/C12H22N2O/c1-9-10(2)13-14(8-12(3,4)5)11(9)6-7-15/h15H,6-8H2,1-5H3
InChIKeyNUMLOVXUFKRACU-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-diethyl-3,4-dimethylpyrazole;ethane
CID 177243767
2-(4,5,6-trimethylpyrimidin-2-yl)ethanol
CID 105433107
2,2-dimethyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine
CID 79621605
3-[(3,4,5-trimethylpyrazol-1-yl)methyl]pentan-3-ol
CID 114495867
1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole
CID 20774327
2-methyl-2-(propylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-ol
CID 64809877
2-(5-tert-butyl-1,4-dimethylpyrazol-3-yl)ethanol
CID 161307806
2-cyclopropyl-2-(ethylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-ol
CID 64811763
2-[1-(4-tert-butylphenyl)-3-methylpyrazol-4-yl]ethanol
CID 116817761
2-methyl-2-(methylamino)-6-(3,4,5-trimethylpyrazol-1-yl)hexan-1-ol
CID 64810087
1-(4-iodo-3,5-dimethylpyrazol-1-yl)-2-methylpropan-2-ol
CID 164946156
3,3-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]butanamide
CID 110716795

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-dimethylpropyl)-4,5-dimethylpyrazol-3-yl]ethanol?
The IUPAC name of 2-[2-(2,2-dimethylpropyl)-4,5-dimethylpyrazol-3-yl]ethanol (CID 178046485) is 2-[2-(2,2-dimethylpropyl)-4,5-dimethylpyrazol-3-yl]ethanol.
What is the SMILES notation for 2-[2-(2,2-dimethylpropyl)-4,5-dimethylpyrazol-3-yl]ethanol?
The canonical SMILES for 2-[2-(2,2-dimethylpropyl)-4,5-dimethylpyrazol-3-yl]ethanol is Cc1nn(CC(C)(C)C)c(CCO)c1C.
What is the InChIKey of 2-[2-(2,2-dimethylpropyl)-4,5-dimethylpyrazol-3-yl]ethanol?
The InChIKey is NUMLOVXUFKRACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9-10(2)13-14(8-12(3,4)5)11(9)6-7-15/h15H,6-8H2,1-5H3.
What are the key properties of 2-[2-(2,2-dimethylpropyl)-4,5-dimethylpyrazol-3-yl]ethanol?
2-[2-(2,2-dimethylpropyl)-4,5-dimethylpyrazol-3-yl]ethanol has a molecular weight of 210.32 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-dimethylpropyl)-4,5-dimethylpyrazol-3-yl]ethanol is sourced from PubChem (CID 178046485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).