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

C10H14BrF3N2O — CID 79954429

IUPAC1-(4-bromo-1,3-dimethylpyrazol-5-yl)-5,5,5-trifluoropentan-2-ol
SMILESCc1nn(C)c(CC(O)CCC(F)(F)F)c1Br
InChIInChI=1S/C10H14BrF3N2O/c1-6-9(11)8(16(2)15-6)5-7(17)3-4-10(12,13)14/h7,17H,3-5H2,1-2H3
InChIKeyYQXWBMNXKHHTDR-UHFFFAOYSA-N
MW315.13 g/mol
LogP2.74
Rot. Bonds4

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

1-(4-bromo-1,3-dimethylpyrazol-5-yl)-5,5,5-trifluoropentan-2-ol (PubChem CID 79954429) has the molecular formula C10H14BrF3N2O and a molecular weight of 315.13 g/mol. Its IUPAC name is 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-5,5,5-trifluoropentan-2-ol.

Molecular Properties

Compound Name1-(4-bromo-1,3-dimethylpyrazol-5-yl)-5,5,5-trifluoropentan-2-ol
PubChem CID79954429
Molecular FormulaC10H14BrF3N2O
Molecular Weight315.13 g/mol
Exact Mass314.02
IUPAC Name1-(4-bromo-1,3-dimethylpyrazol-5-yl)-5,5,5-trifluoropentan-2-ol
SMILESCc1nn(C)c(CC(O)CCC(F)(F)F)c1Br
InChIInChI=1S/C10H14BrF3N2O/c1-6-9(11)8(16(2)15-6)5-7(17)3-4-10(12,13)14/h7,17H,3-5H2,1-2H3
InChIKeyYQXWBMNXKHHTDR-UHFFFAOYSA-N
XLogP2.74
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.13
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-5,5,5-trifluoropentan-2-ol?
The IUPAC name of 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-5,5,5-trifluoropentan-2-ol (CID 79954429) is 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-5,5,5-trifluoropentan-2-ol.
What is the SMILES notation for 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-5,5,5-trifluoropentan-2-ol?
The canonical SMILES for 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-5,5,5-trifluoropentan-2-ol is Cc1nn(C)c(CC(O)CCC(F)(F)F)c1Br.
What is the InChIKey of 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-5,5,5-trifluoropentan-2-ol?
The InChIKey is YQXWBMNXKHHTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrF3N2O/c1-6-9(11)8(16(2)15-6)5-7(17)3-4-10(12,13)14/h7,17H,3-5H2,1-2H3.
What are the key properties of 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-5,5,5-trifluoropentan-2-ol?
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-5,5,5-trifluoropentan-2-ol has a molecular weight of 315.13 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-5,5,5-trifluoropentan-2-ol is sourced from PubChem (CID 79954429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).