1-(3,5-dimethylpyrazol-1-yl)propan-2-ol

C8H14N2O — CID 58803580

IUPAC1-(3,5-dimethylpyrazol-1-yl)propan-2-ol
SMILESCc1cc(C)n(CC(C)O)n1
InChIInChI=1S/C8H14N2O/c1-6-4-7(2)10(9-6)5-8(3)11/h4,8,11H,5H2,1-3H3
InChIKeyOFOYHXQDBDXZHT-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.88
Rot. Bonds2

About 1-(3,5-dimethylpyrazol-1-yl)propan-2-ol

1-(3,5-dimethylpyrazol-1-yl)propan-2-ol (PubChem CID 58803580) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)propan-2-ol
PubChem CID58803580
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)propan-2-ol
SMILESCc1cc(C)n(CC(C)O)n1
InChIInChI=1S/C8H14N2O/c1-6-4-7(2)10(9-6)5-8(3)11/h4,8,11H,5H2,1-3H3
InChIKeyOFOYHXQDBDXZHT-UHFFFAOYSA-N
XLogP0.88
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)propan-2-ol?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)propan-2-ol (CID 58803580) is 1-(3,5-dimethylpyrazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)propan-2-ol is Cc1cc(C)n(CC(C)O)n1.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)propan-2-ol?
The InChIKey is OFOYHXQDBDXZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6-4-7(2)10(9-6)5-8(3)11/h4,8,11H,5H2,1-3H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)propan-2-ol?
1-(3,5-dimethylpyrazol-1-yl)propan-2-ol has a molecular weight of 154.21 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)propan-2-ol is sourced from PubChem (CID 58803580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).