1-(1-ethylpyrazol-4-yl)-5,5,5-trifluoropentan-2-ol

C10H15F3N2O — CID 79953575

IUPAC1-(1-ethylpyrazol-4-yl)-5,5,5-trifluoropentan-2-ol
SMILESCCn1cc(CC(O)CCC(F)(F)F)cn1
InChIInChI=1S/C10H15F3N2O/c1-2-15-7-8(6-14-15)5-9(16)3-4-10(11,12)13/h6-7,9,16H,2-5H2,1H3
InChIKeyJSXQWRNNDAPVQC-UHFFFAOYSA-N
MW236.24 g/mol
LogP2.15
Rot. Bonds5

About 1-(1-ethylpyrazol-4-yl)-5,5,5-trifluoropentan-2-ol

1-(1-ethylpyrazol-4-yl)-5,5,5-trifluoropentan-2-ol (PubChem CID 79953575) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-5,5,5-trifluoropentan-2-ol.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-5,5,5-trifluoropentan-2-ol
PubChem CID79953575
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name1-(1-ethylpyrazol-4-yl)-5,5,5-trifluoropentan-2-ol
SMILESCCn1cc(CC(O)CCC(F)(F)F)cn1
InChIInChI=1S/C10H15F3N2O/c1-2-15-7-8(6-14-15)5-9(16)3-4-10(11,12)13/h6-7,9,16H,2-5H2,1H3
InChIKeyJSXQWRNNDAPVQC-UHFFFAOYSA-N
XLogP2.15
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-5,5,5-trifluoropentan-2-ol?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-5,5,5-trifluoropentan-2-ol (CID 79953575) is 1-(1-ethylpyrazol-4-yl)-5,5,5-trifluoropentan-2-ol.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-5,5,5-trifluoropentan-2-ol?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-5,5,5-trifluoropentan-2-ol is CCn1cc(CC(O)CCC(F)(F)F)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-5,5,5-trifluoropentan-2-ol?
The InChIKey is JSXQWRNNDAPVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-2-15-7-8(6-14-15)5-9(16)3-4-10(11,12)13/h6-7,9,16H,2-5H2,1H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-5,5,5-trifluoropentan-2-ol?
1-(1-ethylpyrazol-4-yl)-5,5,5-trifluoropentan-2-ol has a molecular weight of 236.24 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-5,5,5-trifluoropentan-2-ol is sourced from PubChem (CID 79953575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).