1,1,1-trifluoro-2-(1,3,5-trimethylpyrazol-4-yl)butan-2-ol

C10H15F3N2O — CID 83957748

IUPAC1,1,1-trifluoro-2-(1,3,5-trimethylpyrazol-4-yl)butan-2-ol
SMILESCCC(O)(c1c(C)nn(C)c1C)C(F)(F)F
InChIInChI=1S/C10H15F3N2O/c1-5-9(16,10(11,12)13)8-6(2)14-15(4)7(8)3/h16H,5H2,1-4H3
InChIKeyFTRWEMHCSUQWIR-UHFFFAOYSA-N
MW236.24 g/mol
LogP2.20
Rot. Bonds2

About 1,1,1-trifluoro-2-(1,3,5-trimethylpyrazol-4-yl)butan-2-ol

1,1,1-trifluoro-2-(1,3,5-trimethylpyrazol-4-yl)butan-2-ol (PubChem CID 83957748) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(1,3,5-trimethylpyrazol-4-yl)butan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(1,3,5-trimethylpyrazol-4-yl)butan-2-ol
PubChem CID83957748
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name1,1,1-trifluoro-2-(1,3,5-trimethylpyrazol-4-yl)butan-2-ol
SMILESCCC(O)(c1c(C)nn(C)c1C)C(F)(F)F
InChIInChI=1S/C10H15F3N2O/c1-5-9(16,10(11,12)13)8-6(2)14-15(4)7(8)3/h16H,5H2,1-4H3
InChIKeyFTRWEMHCSUQWIR-UHFFFAOYSA-N
XLogP2.20
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(1,3,5-trimethylpyrazol-4-yl)butan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-(1,3,5-trimethylpyrazol-4-yl)butan-2-ol (CID 83957748) is 1,1,1-trifluoro-2-(1,3,5-trimethylpyrazol-4-yl)butan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-(1,3,5-trimethylpyrazol-4-yl)butan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-(1,3,5-trimethylpyrazol-4-yl)butan-2-ol is CCC(O)(c1c(C)nn(C)c1C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(1,3,5-trimethylpyrazol-4-yl)butan-2-ol?
The InChIKey is FTRWEMHCSUQWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-5-9(16,10(11,12)13)8-6(2)14-15(4)7(8)3/h16H,5H2,1-4H3.
What are the key properties of 1,1,1-trifluoro-2-(1,3,5-trimethylpyrazol-4-yl)butan-2-ol?
1,1,1-trifluoro-2-(1,3,5-trimethylpyrazol-4-yl)butan-2-ol has a molecular weight of 236.24 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(1,3,5-trimethylpyrazol-4-yl)butan-2-ol is sourced from PubChem (CID 83957748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).