(1-ethenylpyrazol-4-yl)methanol

C6H8N2O — CID 59778656

IUPAC(1-ethenylpyrazol-4-yl)methanol
SMILESC=Cn1cc(CO)cn1
InChIInChI=1S/C6H8N2O/c1-2-8-4-6(5-9)3-7-8/h2-4,9H,1,5H2
InChIKeyNNLHOACGXCWDKA-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.48
Rot. Bonds2

About (1-ethenylpyrazol-4-yl)methanol

(1-ethenylpyrazol-4-yl)methanol (PubChem CID 59778656) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is (1-ethenylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(1-ethenylpyrazol-4-yl)methanol
PubChem CID59778656
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name(1-ethenylpyrazol-4-yl)methanol
SMILESC=Cn1cc(CO)cn1
InChIInChI=1S/C6H8N2O/c1-2-8-4-6(5-9)3-7-8/h2-4,9H,1,5H2
InChIKeyNNLHOACGXCWDKA-UHFFFAOYSA-N
XLogP0.48
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethenylpyrazol-4-yl)methanol?
The IUPAC name of (1-ethenylpyrazol-4-yl)methanol (CID 59778656) is (1-ethenylpyrazol-4-yl)methanol.
What is the SMILES notation for (1-ethenylpyrazol-4-yl)methanol?
The canonical SMILES for (1-ethenylpyrazol-4-yl)methanol is C=Cn1cc(CO)cn1.
What is the InChIKey of (1-ethenylpyrazol-4-yl)methanol?
The InChIKey is NNLHOACGXCWDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-2-8-4-6(5-9)3-7-8/h2-4,9H,1,5H2.
What are the key properties of (1-ethenylpyrazol-4-yl)methanol?
(1-ethenylpyrazol-4-yl)methanol has a molecular weight of 124.14 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethenylpyrazol-4-yl)methanol is sourced from PubChem (CID 59778656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).