1,3-dimethylpyrazol-4-ol

C5H8N2O — CID 18713388

IUPAC1,3-dimethylpyrazol-4-ol
SMILESCc1nn(C)cc1O
InChIInChI=1S/C5H8N2O/c1-4-5(8)3-7(2)6-4/h3,8H,1-2H3
InChIKeyXVUBEOHZTPQLCM-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.43
Rot. Bonds

About 1,3-dimethylpyrazol-4-ol

1,3-dimethylpyrazol-4-ol (PubChem CID 18713388) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 1,3-dimethylpyrazol-4-ol.

Molecular Properties

Compound Name1,3-dimethylpyrazol-4-ol
PubChem CID18713388
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name1,3-dimethylpyrazol-4-ol
SMILESCc1nn(C)cc1O
InChIInChI=1S/C5H8N2O/c1-4-5(8)3-7(2)6-4/h3,8H,1-2H3
InChIKeyXVUBEOHZTPQLCM-UHFFFAOYSA-N
XLogP0.43
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 ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpyrazol-4-ol?
The IUPAC name of 1,3-dimethylpyrazol-4-ol (CID 18713388) is 1,3-dimethylpyrazol-4-ol.
What is the SMILES notation for 1,3-dimethylpyrazol-4-ol?
The canonical SMILES for 1,3-dimethylpyrazol-4-ol is Cc1nn(C)cc1O.
What is the InChIKey of 1,3-dimethylpyrazol-4-ol?
The InChIKey is XVUBEOHZTPQLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-4-5(8)3-7(2)6-4/h3,8H,1-2H3.
What are the key properties of 1,3-dimethylpyrazol-4-ol?
1,3-dimethylpyrazol-4-ol has a molecular weight of 112.13 g/mol, XLogP of 0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpyrazol-4-ol is sourced from PubChem (CID 18713388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).