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

C7H12N2O — CID 58514590

IUPAC2-(4,5-dimethylpyrazol-1-yl)ethanol
SMILESCc1cnn(CCO)c1C
InChIInChI=1S/C7H12N2O/c1-6-5-8-9(3-4-10)7(6)2/h5,10H,3-4H2,1-2H3
InChIKeyQWIADDHYCJQIRJ-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.49
Rot. Bonds2

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

2-(4,5-dimethylpyrazol-1-yl)ethanol (PubChem CID 58514590) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-(4,5-dimethylpyrazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(4,5-dimethylpyrazol-1-yl)ethanol
PubChem CID58514590
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2-(4,5-dimethylpyrazol-1-yl)ethanol
SMILESCc1cnn(CCO)c1C
InChIInChI=1S/C7H12N2O/c1-6-5-8-9(3-4-10)7(6)2/h5,10H,3-4H2,1-2H3
InChIKeyQWIADDHYCJQIRJ-UHFFFAOYSA-N
XLogP0.49
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylpyrazol-1-yl)ethanol?
The IUPAC name of 2-(4,5-dimethylpyrazol-1-yl)ethanol (CID 58514590) is 2-(4,5-dimethylpyrazol-1-yl)ethanol.
What is the SMILES notation for 2-(4,5-dimethylpyrazol-1-yl)ethanol?
The canonical SMILES for 2-(4,5-dimethylpyrazol-1-yl)ethanol is Cc1cnn(CCO)c1C.
What is the InChIKey of 2-(4,5-dimethylpyrazol-1-yl)ethanol?
The InChIKey is QWIADDHYCJQIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-6-5-8-9(3-4-10)7(6)2/h5,10H,3-4H2,1-2H3.
What are the key properties of 2-(4,5-dimethylpyrazol-1-yl)ethanol?
2-(4,5-dimethylpyrazol-1-yl)ethanol has a molecular weight of 140.19 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylpyrazol-1-yl)ethanol is sourced from PubChem (CID 58514590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).