2,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-ol

C12H22N2O — CID 64770980

IUPAC2,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-ol
SMILESCC(C)n1ccc(CC(C)(O)C(C)C)n1
InChIInChI=1S/C12H22N2O/c1-9(2)12(5,15)8-11-6-7-14(13-11)10(3)4/h6-7,9-10,15H,8H2,1-5H3
InChIKeyFIAQBHHBFZICOY-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.41
Rot. Bonds4

About 2,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-ol

2,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-ol (PubChem CID 64770980) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-ol
PubChem CID64770980
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-ol
SMILESCC(C)n1ccc(CC(C)(O)C(C)C)n1
InChIInChI=1S/C12H22N2O/c1-9(2)12(5,15)8-11-6-7-14(13-11)10(3)4/h6-7,9-10,15H,8H2,1-5H3
InChIKeyFIAQBHHBFZICOY-UHFFFAOYSA-N
XLogP2.41
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-ol?
The IUPAC name of 2,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-ol (CID 64770980) is 2,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-ol?
The canonical SMILES for 2,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-ol is CC(C)n1ccc(CC(C)(O)C(C)C)n1.
What is the InChIKey of 2,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-ol?
The InChIKey is FIAQBHHBFZICOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9(2)12(5,15)8-11-6-7-14(13-11)10(3)4/h6-7,9-10,15H,8H2,1-5H3.
What are the key properties of 2,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-ol?
2,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-ol has a molecular weight of 210.32 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-ol is sourced from PubChem (CID 64770980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).