5-cyclobutyl-1-ethylpyrazol-4-ol

C9H14N2O — CID 105433092

IUPAC5-cyclobutyl-1-ethylpyrazol-4-ol
SMILESCCn1ncc(O)c1C1CCC1
InChIInChI=1S/C9H14N2O/c1-2-11-9(7-4-3-5-7)8(12)6-10-11/h6-7,12H,2-5H2,1H3
InChIKeyFZDKMULYXIHJRI-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.88
Rot. Bonds2

About 5-cyclobutyl-1-ethylpyrazol-4-ol

5-cyclobutyl-1-ethylpyrazol-4-ol (PubChem CID 105433092) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 5-cyclobutyl-1-ethylpyrazol-4-ol.

Molecular Properties

Compound Name5-cyclobutyl-1-ethylpyrazol-4-ol
PubChem CID105433092
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name5-cyclobutyl-1-ethylpyrazol-4-ol
SMILESCCn1ncc(O)c1C1CCC1
InChIInChI=1S/C9H14N2O/c1-2-11-9(7-4-3-5-7)8(12)6-10-11/h6-7,12H,2-5H2,1H3
InChIKeyFZDKMULYXIHJRI-UHFFFAOYSA-N
XLogP1.88
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-1-ethylpyrazol-4-ol?
The IUPAC name of 5-cyclobutyl-1-ethylpyrazol-4-ol (CID 105433092) is 5-cyclobutyl-1-ethylpyrazol-4-ol.
What is the SMILES notation for 5-cyclobutyl-1-ethylpyrazol-4-ol?
The canonical SMILES for 5-cyclobutyl-1-ethylpyrazol-4-ol is CCn1ncc(O)c1C1CCC1.
What is the InChIKey of 5-cyclobutyl-1-ethylpyrazol-4-ol?
The InChIKey is FZDKMULYXIHJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-2-11-9(7-4-3-5-7)8(12)6-10-11/h6-7,12H,2-5H2,1H3.
What are the key properties of 5-cyclobutyl-1-ethylpyrazol-4-ol?
5-cyclobutyl-1-ethylpyrazol-4-ol has a molecular weight of 166.22 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-1-ethylpyrazol-4-ol is sourced from PubChem (CID 105433092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).