1-hydroxypyrazole

C3H4N2O — CID 3016733

IUPAC1-hydroxypyrazole
SMILESOn1cccn1
InChIInChI=1S/C3H4N2O/c6-5-3-1-2-4-5/h1-3,6H
InChIKeyQVCIPIYWPSPRFA-UHFFFAOYSA-N
MW84.08 g/mol
LogP0.12
Rot. Bonds

About 1-hydroxypyrazole

1-hydroxypyrazole (PubChem CID 3016733) has the molecular formula C3H4N2O and a molecular weight of 84.08 g/mol. Its IUPAC name is 1-hydroxypyrazole.

Molecular Properties

Compound Name1-hydroxypyrazole
PubChem CID3016733
Molecular FormulaC3H4N2O
Molecular Weight84.08 g/mol
Exact Mass84.03
IUPAC Name1-hydroxypyrazole
SMILESOn1cccn1
InChIInChI=1S/C3H4N2O/c6-5-3-1-2-4-5/h1-3,6H
InChIKeyQVCIPIYWPSPRFA-UHFFFAOYSA-N
XLogP0.12
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.08
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxypyrazole?
The IUPAC name of 1-hydroxypyrazole (CID 3016733) is 1-hydroxypyrazole.
What is the SMILES notation for 1-hydroxypyrazole?
The canonical SMILES for 1-hydroxypyrazole is On1cccn1.
What is the InChIKey of 1-hydroxypyrazole?
The InChIKey is QVCIPIYWPSPRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2O/c6-5-3-1-2-4-5/h1-3,6H.
What are the key properties of 1-hydroxypyrazole?
1-hydroxypyrazole has a molecular weight of 84.08 g/mol, XLogP of 0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypyrazole is sourced from PubChem (CID 3016733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).