2-(3-ethyl-4,5-dimethylpyrazol-1-yl)ethanol

C9H16N2O — CID 144506265

IUPAC2-(3-ethyl-4,5-dimethylpyrazol-1-yl)ethanol
SMILESCCc1nn(CCO)c(C)c1C
InChIInChI=1S/C9H16N2O/c1-4-9-7(2)8(3)11(10-9)5-6-12/h12H,4-6H2,1-3H3
InChIKeyKPWOGKUYTRKYGL-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.05
Rot. Bonds3

About 2-(3-ethyl-4,5-dimethylpyrazol-1-yl)ethanol

2-(3-ethyl-4,5-dimethylpyrazol-1-yl)ethanol (PubChem CID 144506265) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(3-ethyl-4,5-dimethylpyrazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(3-ethyl-4,5-dimethylpyrazol-1-yl)ethanol
PubChem CID144506265
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-(3-ethyl-4,5-dimethylpyrazol-1-yl)ethanol
SMILESCCc1nn(CCO)c(C)c1C
InChIInChI=1S/C9H16N2O/c1-4-9-7(2)8(3)11(10-9)5-6-12/h12H,4-6H2,1-3H3
InChIKeyKPWOGKUYTRKYGL-UHFFFAOYSA-N
XLogP1.05
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4,5-dimethylpyrazol-1-yl)ethanol?
The IUPAC name of 2-(3-ethyl-4,5-dimethylpyrazol-1-yl)ethanol (CID 144506265) is 2-(3-ethyl-4,5-dimethylpyrazol-1-yl)ethanol.
What is the SMILES notation for 2-(3-ethyl-4,5-dimethylpyrazol-1-yl)ethanol?
The canonical SMILES for 2-(3-ethyl-4,5-dimethylpyrazol-1-yl)ethanol is CCc1nn(CCO)c(C)c1C.
What is the InChIKey of 2-(3-ethyl-4,5-dimethylpyrazol-1-yl)ethanol?
The InChIKey is KPWOGKUYTRKYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-9-7(2)8(3)11(10-9)5-6-12/h12H,4-6H2,1-3H3.
What are the key properties of 2-(3-ethyl-4,5-dimethylpyrazol-1-yl)ethanol?
2-(3-ethyl-4,5-dimethylpyrazol-1-yl)ethanol has a molecular weight of 168.24 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4,5-dimethylpyrazol-1-yl)ethanol is sourced from PubChem (CID 144506265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).