2-[(1-ethylpyrazol-4-yl)methylidene]butan-1-ol

C10H16N2O — CID 103570991

IUPAC2-[(1-ethylpyrazol-4-yl)methylidene]butan-1-ol
SMILESCCC(=Cc1cnn(CC)c1)CO
InChIInChI=1S/C10H16N2O/c1-3-9(8-13)5-10-6-11-12(4-2)7-10/h5-7,13H,3-4,8H2,1-2H3
InChIKeyORALCDIUWJDIJH-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.69
Rot. Bonds4

About 2-[(1-ethylpyrazol-4-yl)methylidene]butan-1-ol

2-[(1-ethylpyrazol-4-yl)methylidene]butan-1-ol (PubChem CID 103570991) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-[(1-ethylpyrazol-4-yl)methylidene]butan-1-ol.

Molecular Properties

Compound Name2-[(1-ethylpyrazol-4-yl)methylidene]butan-1-ol
PubChem CID103570991
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-[(1-ethylpyrazol-4-yl)methylidene]butan-1-ol
SMILESCCC(=Cc1cnn(CC)c1)CO
InChIInChI=1S/C10H16N2O/c1-3-9(8-13)5-10-6-11-12(4-2)7-10/h5-7,13H,3-4,8H2,1-2H3
InChIKeyORALCDIUWJDIJH-UHFFFAOYSA-N
XLogP1.69
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-4-yl)methylidene]butan-1-ol?
The IUPAC name of 2-[(1-ethylpyrazol-4-yl)methylidene]butan-1-ol (CID 103570991) is 2-[(1-ethylpyrazol-4-yl)methylidene]butan-1-ol.
What is the SMILES notation for 2-[(1-ethylpyrazol-4-yl)methylidene]butan-1-ol?
The canonical SMILES for 2-[(1-ethylpyrazol-4-yl)methylidene]butan-1-ol is CCC(=Cc1cnn(CC)c1)CO.
What is the InChIKey of 2-[(1-ethylpyrazol-4-yl)methylidene]butan-1-ol?
The InChIKey is ORALCDIUWJDIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-9(8-13)5-10-6-11-12(4-2)7-10/h5-7,13H,3-4,8H2,1-2H3.
What are the key properties of 2-[(1-ethylpyrazol-4-yl)methylidene]butan-1-ol?
2-[(1-ethylpyrazol-4-yl)methylidene]butan-1-ol has a molecular weight of 180.25 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrazol-4-yl)methylidene]butan-1-ol is sourced from PubChem (CID 103570991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).