5-ethyl-1-methylpyrazol-4-ol

C6H10N2O — CID 105427282

IUPAC5-ethyl-1-methylpyrazol-4-ol
SMILESCCc1c(O)cnn1C
InChIInChI=1S/C6H10N2O/c1-3-5-6(9)4-7-8(5)2/h4,9H,3H2,1-2H3
InChIKeyHVBYRZJKOJQURR-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.69
Rot. Bonds1

About 5-ethyl-1-methylpyrazol-4-ol

5-ethyl-1-methylpyrazol-4-ol (PubChem CID 105427282) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 5-ethyl-1-methylpyrazol-4-ol.

Molecular Properties

Compound Name5-ethyl-1-methylpyrazol-4-ol
PubChem CID105427282
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name5-ethyl-1-methylpyrazol-4-ol
SMILESCCc1c(O)cnn1C
InChIInChI=1S/C6H10N2O/c1-3-5-6(9)4-7-8(5)2/h4,9H,3H2,1-2H3
InChIKeyHVBYRZJKOJQURR-UHFFFAOYSA-N
XLogP0.69
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-methylpyrazol-4-ol?
The IUPAC name of 5-ethyl-1-methylpyrazol-4-ol (CID 105427282) is 5-ethyl-1-methylpyrazol-4-ol.
What is the SMILES notation for 5-ethyl-1-methylpyrazol-4-ol?
The canonical SMILES for 5-ethyl-1-methylpyrazol-4-ol is CCc1c(O)cnn1C.
What is the InChIKey of 5-ethyl-1-methylpyrazol-4-ol?
The InChIKey is HVBYRZJKOJQURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-3-5-6(9)4-7-8(5)2/h4,9H,3H2,1-2H3.
What are the key properties of 5-ethyl-1-methylpyrazol-4-ol?
5-ethyl-1-methylpyrazol-4-ol has a molecular weight of 126.16 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-methylpyrazol-4-ol is sourced from PubChem (CID 105427282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).