2,3-dimethyl-3-pyrazol-1-ylbutan-2-ol

C9H16N2O — CID 90764973

IUPAC2,3-dimethyl-3-pyrazol-1-ylbutan-2-ol
SMILESCC(C)(O)C(C)(C)n1cccn1
InChIInChI=1S/C9H16N2O/c1-8(2,9(3,4)12)11-7-5-6-10-11/h5-7,12H,1-4H3
InChIKeyYAOKREUPZFYRMT-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.39
Rot. Bonds2

About 2,3-dimethyl-3-pyrazol-1-ylbutan-2-ol

2,3-dimethyl-3-pyrazol-1-ylbutan-2-ol (PubChem CID 90764973) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2,3-dimethyl-3-pyrazol-1-ylbutan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-3-pyrazol-1-ylbutan-2-ol
PubChem CID90764973
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2,3-dimethyl-3-pyrazol-1-ylbutan-2-ol
SMILESCC(C)(O)C(C)(C)n1cccn1
InChIInChI=1S/C9H16N2O/c1-8(2,9(3,4)12)11-7-5-6-10-11/h5-7,12H,1-4H3
InChIKeyYAOKREUPZFYRMT-UHFFFAOYSA-N
XLogP1.39
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-pyrazol-1-ylbutan-2-ol?
The IUPAC name of 2,3-dimethyl-3-pyrazol-1-ylbutan-2-ol (CID 90764973) is 2,3-dimethyl-3-pyrazol-1-ylbutan-2-ol.
What is the SMILES notation for 2,3-dimethyl-3-pyrazol-1-ylbutan-2-ol?
The canonical SMILES for 2,3-dimethyl-3-pyrazol-1-ylbutan-2-ol is CC(C)(O)C(C)(C)n1cccn1.
What is the InChIKey of 2,3-dimethyl-3-pyrazol-1-ylbutan-2-ol?
The InChIKey is YAOKREUPZFYRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-8(2,9(3,4)12)11-7-5-6-10-11/h5-7,12H,1-4H3.
What are the key properties of 2,3-dimethyl-3-pyrazol-1-ylbutan-2-ol?
2,3-dimethyl-3-pyrazol-1-ylbutan-2-ol has a molecular weight of 168.24 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-pyrazol-1-ylbutan-2-ol is sourced from PubChem (CID 90764973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).