3,3,3-trifluoro-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol

C9H13F3N2O — CID 130417994

IUPAC3,3,3-trifluoro-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol
SMILESCC(C)c1cnn(C(CO)C(F)(F)F)c1
InChIInChI=1S/C9H13F3N2O/c1-6(2)7-3-13-14(4-7)8(5-15)9(10,11)12/h3-4,6,8,15H,5H2,1-2H3
InChIKeyCKLPVTXCXCLMPX-UHFFFAOYSA-N
MW222.21 g/mol
LogP2.10
Rot. Bonds3

About 3,3,3-trifluoro-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol

3,3,3-trifluoro-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol (PubChem CID 130417994) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol
PubChem CID130417994
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC Name3,3,3-trifluoro-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol
SMILESCC(C)c1cnn(C(CO)C(F)(F)F)c1
InChIInChI=1S/C9H13F3N2O/c1-6(2)7-3-13-14(4-7)8(5-15)9(10,11)12/h3-4,6,8,15H,5H2,1-2H3
InChIKeyCKLPVTXCXCLMPX-UHFFFAOYSA-N
XLogP2.10
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol?
The IUPAC name of 3,3,3-trifluoro-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol (CID 130417994) is 3,3,3-trifluoro-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol.
What is the SMILES notation for 3,3,3-trifluoro-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol?
The canonical SMILES for 3,3,3-trifluoro-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol is CC(C)c1cnn(C(CO)C(F)(F)F)c1.
What is the InChIKey of 3,3,3-trifluoro-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol?
The InChIKey is CKLPVTXCXCLMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c1-6(2)7-3-13-14(4-7)8(5-15)9(10,11)12/h3-4,6,8,15H,5H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol?
3,3,3-trifluoro-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol has a molecular weight of 222.21 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol is sourced from PubChem (CID 130417994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).