1-propan-2-yloxy-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol

C10H15F3N2O2 — CID 63987625

IUPAC1-propan-2-yloxy-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
SMILESCC(C)OCC(O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H15F3N2O2/c1-7(2)17-6-8(16)5-15-4-3-9(14-15)10(11,12)13/h3-4,7-8,16H,5-6H2,1-2H3
InChIKeyJIXNXWDNDRZOFM-UHFFFAOYSA-N
MW252.24 g/mol
LogP1.69
Rot. Bonds5

About 1-propan-2-yloxy-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol

1-propan-2-yloxy-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol (PubChem CID 63987625) has the molecular formula C10H15F3N2O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 1-propan-2-yloxy-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-propan-2-yloxy-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
PubChem CID63987625
Molecular FormulaC10H15F3N2O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC Name1-propan-2-yloxy-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
SMILESCC(C)OCC(O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H15F3N2O2/c1-7(2)17-6-8(16)5-15-4-3-9(14-15)10(11,12)13/h3-4,7-8,16H,5-6H2,1-2H3
InChIKeyJIXNXWDNDRZOFM-UHFFFAOYSA-N
XLogP1.69
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxy-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The IUPAC name of 1-propan-2-yloxy-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol (CID 63987625) is 1-propan-2-yloxy-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-propan-2-yloxy-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The canonical SMILES for 1-propan-2-yloxy-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol is CC(C)OCC(O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of 1-propan-2-yloxy-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The InChIKey is JIXNXWDNDRZOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2/c1-7(2)17-6-8(16)5-15-4-3-9(14-15)10(11,12)13/h3-4,7-8,16H,5-6H2,1-2H3.
What are the key properties of 1-propan-2-yloxy-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
1-propan-2-yloxy-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol has a molecular weight of 252.24 g/mol, XLogP of 1.69, 5 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-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol is sourced from PubChem (CID 63987625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).