1-propan-2-yloxy-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol

C12H22N2O2 — CID 105103444

IUPAC1-propan-2-yloxy-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol
SMILESCC(C)OCC(O)Cc1ccn(C(C)C)n1
InChIInChI=1S/C12H22N2O2/c1-9(2)14-6-5-11(13-14)7-12(15)8-16-10(3)4/h5-6,9-10,12,15H,7-8H2,1-4H3
InChIKeyCGDZICCMCKGMTK-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.79
Rot. Bonds6

About 1-propan-2-yloxy-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol

1-propan-2-yloxy-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol (PubChem CID 105103444) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-propan-2-yloxy-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-propan-2-yloxy-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol
PubChem CID105103444
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-propan-2-yloxy-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol
SMILESCC(C)OCC(O)Cc1ccn(C(C)C)n1
InChIInChI=1S/C12H22N2O2/c1-9(2)14-6-5-11(13-14)7-12(15)8-16-10(3)4/h5-6,9-10,12,15H,7-8H2,1-4H3
InChIKeyCGDZICCMCKGMTK-UHFFFAOYSA-N
XLogP1.79
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-ol
CID 64772656
1-(1-cyclohexylpyrazol-3-yl)-3-propan-2-yloxypropan-2-ol
CID 105102471
1-(1-propan-2-ylpyrazol-3-yl)nonan-2-ol
CID 64770989
1-(4-fluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol
CID 64772608
2-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diol
CID 79449988
1-(1-propan-2-ylpyrazol-3-yl)hexane-2,3-diol
CID 103454908
1-cyclohexyl-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64770987
1-methylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 64772269
1-(1-methylpyrazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64772056
1-(1-butan-2-ylpyrazol-3-yl)-3-methylsulfanylpropan-2-ol
CID 64785469
1-(1,4-dimethylpiperazin-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol
CID 115414847
2,3-dimethyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-amine
CID 81009886

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxy-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol?
The IUPAC name of 1-propan-2-yloxy-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol (CID 105103444) is 1-propan-2-yloxy-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol.
What is the SMILES notation for 1-propan-2-yloxy-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol?
The canonical SMILES for 1-propan-2-yloxy-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol is CC(C)OCC(O)Cc1ccn(C(C)C)n1.
What is the InChIKey of 1-propan-2-yloxy-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol?
The InChIKey is CGDZICCMCKGMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9(2)14-6-5-11(13-14)7-12(15)8-16-10(3)4/h5-6,9-10,12,15H,7-8H2,1-4H3.
What are the key properties of 1-propan-2-yloxy-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol?
1-propan-2-yloxy-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol has a molecular weight of 226.32 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxy-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol is sourced from PubChem (CID 105103444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).