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

C11H17F3N2O — CID 105104628

IUPAC5,5,5-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)pentan-2-ol
SMILESCc1nn(C)c(C)c1CC(O)CCC(F)(F)F
InChIInChI=1S/C11H17F3N2O/c1-7-10(8(2)16(3)15-7)6-9(17)4-5-11(12,13)14/h9,17H,4-6H2,1-3H3
InChIKeyBQMMVMPGMNPCSJ-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.28
Rot. Bonds4

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

5,5,5-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)pentan-2-ol (PubChem CID 105104628) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)pentan-2-ol.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)pentan-2-ol
PubChem CID105104628
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name5,5,5-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)pentan-2-ol
SMILESCc1nn(C)c(C)c1CC(O)CCC(F)(F)F
InChIInChI=1S/C11H17F3N2O/c1-7-10(8(2)16(3)15-7)6-9(17)4-5-11(12,13)14/h9,17H,4-6H2,1-3H3
InChIKeyBQMMVMPGMNPCSJ-UHFFFAOYSA-N
XLogP2.28
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)pentan-2-ol?
The IUPAC name of 5,5,5-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)pentan-2-ol (CID 105104628) is 5,5,5-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)pentan-2-ol.
What is the SMILES notation for 5,5,5-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)pentan-2-ol?
The canonical SMILES for 5,5,5-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)pentan-2-ol is Cc1nn(C)c(C)c1CC(O)CCC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)pentan-2-ol?
The InChIKey is BQMMVMPGMNPCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-7-10(8(2)16(3)15-7)6-9(17)4-5-11(12,13)14/h9,17H,4-6H2,1-3H3.
What are the key properties of 5,5,5-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)pentan-2-ol?
5,5,5-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)pentan-2-ol has a molecular weight of 250.26 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)pentan-2-ol is sourced from PubChem (CID 105104628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).