3-methyl-1-pyrazol-1-ylbutan-2-ol

C8H14N2O — CID 79002440

IUPAC3-methyl-1-pyrazol-1-ylbutan-2-ol
SMILESCC(C)C(O)Cn1cccn1
InChIInChI=1S/C8H14N2O/c1-7(2)8(11)6-10-5-3-4-9-10/h3-5,7-8,11H,6H2,1-2H3
InChIKeyDZNOIGXZYAOVFY-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.90
Rot. Bonds3

About 3-methyl-1-pyrazol-1-ylbutan-2-ol

3-methyl-1-pyrazol-1-ylbutan-2-ol (PubChem CID 79002440) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-methyl-1-pyrazol-1-ylbutan-2-ol.

Molecular Properties

Compound Name3-methyl-1-pyrazol-1-ylbutan-2-ol
PubChem CID79002440
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name3-methyl-1-pyrazol-1-ylbutan-2-ol
SMILESCC(C)C(O)Cn1cccn1
InChIInChI=1S/C8H14N2O/c1-7(2)8(11)6-10-5-3-4-9-10/h3-5,7-8,11H,6H2,1-2H3
InChIKeyDZNOIGXZYAOVFY-UHFFFAOYSA-N
XLogP0.90
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 ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-pyrazol-1-ylbutan-2-ol?
The IUPAC name of 3-methyl-1-pyrazol-1-ylbutan-2-ol (CID 79002440) is 3-methyl-1-pyrazol-1-ylbutan-2-ol.
What is the SMILES notation for 3-methyl-1-pyrazol-1-ylbutan-2-ol?
The canonical SMILES for 3-methyl-1-pyrazol-1-ylbutan-2-ol is CC(C)C(O)Cn1cccn1.
What is the InChIKey of 3-methyl-1-pyrazol-1-ylbutan-2-ol?
The InChIKey is DZNOIGXZYAOVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-7(2)8(11)6-10-5-3-4-9-10/h3-5,7-8,11H,6H2,1-2H3.
What are the key properties of 3-methyl-1-pyrazol-1-ylbutan-2-ol?
3-methyl-1-pyrazol-1-ylbutan-2-ol has a molecular weight of 154.21 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-pyrazol-1-ylbutan-2-ol is sourced from PubChem (CID 79002440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).