2-methyl-4-pyrazol-1-ylbutan-2-ol

C8H14N2O — CID 79361201

IUPAC2-methyl-4-pyrazol-1-ylbutan-2-ol
SMILESCC(C)(O)CCn1cccn1
InChIInChI=1S/C8H14N2O/c1-8(2,11)4-7-10-6-3-5-9-10/h3,5-6,11H,4,7H2,1-2H3
InChIKeyGQWSFZJGFXPZHZ-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.04
Rot. Bonds3

About 2-methyl-4-pyrazol-1-ylbutan-2-ol

2-methyl-4-pyrazol-1-ylbutan-2-ol (PubChem CID 79361201) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-methyl-4-pyrazol-1-ylbutan-2-ol.

Molecular Properties

Compound Name2-methyl-4-pyrazol-1-ylbutan-2-ol
PubChem CID79361201
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-methyl-4-pyrazol-1-ylbutan-2-ol
SMILESCC(C)(O)CCn1cccn1
InChIInChI=1S/C8H14N2O/c1-8(2,11)4-7-10-6-3-5-9-10/h3,5-6,11H,4,7H2,1-2H3
InChIKeyGQWSFZJGFXPZHZ-UHFFFAOYSA-N
XLogP1.04
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-pyrazol-1-ylbutan-2-ol?
The IUPAC name of 2-methyl-4-pyrazol-1-ylbutan-2-ol (CID 79361201) is 2-methyl-4-pyrazol-1-ylbutan-2-ol.
What is the SMILES notation for 2-methyl-4-pyrazol-1-ylbutan-2-ol?
The canonical SMILES for 2-methyl-4-pyrazol-1-ylbutan-2-ol is CC(C)(O)CCn1cccn1.
What is the InChIKey of 2-methyl-4-pyrazol-1-ylbutan-2-ol?
The InChIKey is GQWSFZJGFXPZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-8(2,11)4-7-10-6-3-5-9-10/h3,5-6,11H,4,7H2,1-2H3.
What are the key properties of 2-methyl-4-pyrazol-1-ylbutan-2-ol?
2-methyl-4-pyrazol-1-ylbutan-2-ol has a molecular weight of 154.21 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-pyrazol-1-ylbutan-2-ol is sourced from PubChem (CID 79361201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).