1-hydroxy-3,5-dimethylpyrazole

C5H8N2O — CID 12569725

IUPAC1-hydroxy-3,5-dimethylpyrazole
SMILESCc1cc(C)n(O)n1
InChIInChI=1S/C5H8N2O/c1-4-3-5(2)7(8)6-4/h3,8H,1-2H3
InChIKeyRSNGJKZZJHQZAP-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.74
Rot. Bonds

About 1-hydroxy-3,5-dimethylpyrazole

1-hydroxy-3,5-dimethylpyrazole (PubChem CID 12569725) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 1-hydroxy-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-hydroxy-3,5-dimethylpyrazole
PubChem CID12569725
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name1-hydroxy-3,5-dimethylpyrazole
SMILESCc1cc(C)n(O)n1
InChIInChI=1S/C5H8N2O/c1-4-3-5(2)7(8)6-4/h3,8H,1-2H3
InChIKeyRSNGJKZZJHQZAP-UHFFFAOYSA-N
XLogP0.74
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.74
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-hydroxy-3,5-dimethylpyrazole?
The IUPAC name of 1-hydroxy-3,5-dimethylpyrazole (CID 12569725) is 1-hydroxy-3,5-dimethylpyrazole.
What is the SMILES notation for 1-hydroxy-3,5-dimethylpyrazole?
The canonical SMILES for 1-hydroxy-3,5-dimethylpyrazole is Cc1cc(C)n(O)n1.
What is the InChIKey of 1-hydroxy-3,5-dimethylpyrazole?
The InChIKey is RSNGJKZZJHQZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-4-3-5(2)7(8)6-4/h3,8H,1-2H3.
What are the key properties of 1-hydroxy-3,5-dimethylpyrazole?
1-hydroxy-3,5-dimethylpyrazole has a molecular weight of 112.13 g/mol, XLogP of 0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3,5-dimethylpyrazole is sourced from PubChem (CID 12569725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).