3-(4-bromo-3,5-dimethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol

C8H10BrF3N2O — CID 63902074

IUPAC3-(4-bromo-3,5-dimethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol
SMILESCc1nn(CC(O)C(F)(F)F)c(C)c1Br
InChIInChI=1S/C8H10BrF3N2O/c1-4-7(9)5(2)14(13-4)3-6(15)8(10,11)12/h6,15H,3H2,1-2H3
InChIKeyUCFRCPMFWPIDLR-UHFFFAOYSA-N
MW287.08 g/mol
LogP2.19
Rot. Bonds2

About 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol

3-(4-bromo-3,5-dimethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol (PubChem CID 63902074) has the molecular formula C8H10BrF3N2O and a molecular weight of 287.08 g/mol. Its IUPAC name is 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(4-bromo-3,5-dimethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol
PubChem CID63902074
Molecular FormulaC8H10BrF3N2O
Molecular Weight287.08 g/mol
Exact Mass285.99
IUPAC Name3-(4-bromo-3,5-dimethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol
SMILESCc1nn(CC(O)C(F)(F)F)c(C)c1Br
InChIInChI=1S/C8H10BrF3N2O/c1-4-7(9)5(2)14(13-4)3-6(15)8(10,11)12/h6,15H,3H2,1-2H3
InChIKeyUCFRCPMFWPIDLR-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol (CID 63902074) is 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol is Cc1nn(CC(O)C(F)(F)F)c(C)c1Br.
What is the InChIKey of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is UCFRCPMFWPIDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF3N2O/c1-4-7(9)5(2)14(13-4)3-6(15)8(10,11)12/h6,15H,3H2,1-2H3.
What are the key properties of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol?
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 287.08 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63902074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).