1-(4-bromo-5-ethyl-1-methylpyrazol-3-yl)-2,2,2-trifluoroethanol

C8H10BrF3N2O — CID 142591820

IUPAC1-(4-bromo-5-ethyl-1-methylpyrazol-3-yl)-2,2,2-trifluoroethanol
SMILESCCc1c(Br)c(C(O)C(F)(F)F)nn1C
InChIInChI=1S/C8H10BrF3N2O/c1-3-4-5(9)6(13-14(4)2)7(15)8(10,11)12/h7,15H,3H2,1-2H3
InChIKeyOOKNKUVQMKYKHI-UHFFFAOYSA-N
MW287.08 g/mol
LogP2.34
Rot. Bonds2

About 1-(4-bromo-5-ethyl-1-methylpyrazol-3-yl)-2,2,2-trifluoroethanol

1-(4-bromo-5-ethyl-1-methylpyrazol-3-yl)-2,2,2-trifluoroethanol (PubChem CID 142591820) has the molecular formula C8H10BrF3N2O and a molecular weight of 287.08 g/mol. Its IUPAC name is 1-(4-bromo-5-ethyl-1-methylpyrazol-3-yl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(4-bromo-5-ethyl-1-methylpyrazol-3-yl)-2,2,2-trifluoroethanol
PubChem CID142591820
Molecular FormulaC8H10BrF3N2O
Molecular Weight287.08 g/mol
Exact Mass285.99
IUPAC Name1-(4-bromo-5-ethyl-1-methylpyrazol-3-yl)-2,2,2-trifluoroethanol
SMILESCCc1c(Br)c(C(O)C(F)(F)F)nn1C
InChIInChI=1S/C8H10BrF3N2O/c1-3-4-5(9)6(13-14(4)2)7(15)8(10,11)12/h7,15H,3H2,1-2H3
InChIKeyOOKNKUVQMKYKHI-UHFFFAOYSA-N
XLogP2.34
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.08
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-ethyl-1-methylpyrazol-3-yl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(4-bromo-5-ethyl-1-methylpyrazol-3-yl)-2,2,2-trifluoroethanol (CID 142591820) is 1-(4-bromo-5-ethyl-1-methylpyrazol-3-yl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(4-bromo-5-ethyl-1-methylpyrazol-3-yl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(4-bromo-5-ethyl-1-methylpyrazol-3-yl)-2,2,2-trifluoroethanol is CCc1c(Br)c(C(O)C(F)(F)F)nn1C.
What is the InChIKey of 1-(4-bromo-5-ethyl-1-methylpyrazol-3-yl)-2,2,2-trifluoroethanol?
The InChIKey is OOKNKUVQMKYKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF3N2O/c1-3-4-5(9)6(13-14(4)2)7(15)8(10,11)12/h7,15H,3H2,1-2H3.
What are the key properties of 1-(4-bromo-5-ethyl-1-methylpyrazol-3-yl)-2,2,2-trifluoroethanol?
1-(4-bromo-5-ethyl-1-methylpyrazol-3-yl)-2,2,2-trifluoroethanol has a molecular weight of 287.08 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-ethyl-1-methylpyrazol-3-yl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 142591820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).