1-(3-tert-butyl-1-methylpyrazol-4-yl)-5,5,5-trifluoropentan-1-ol

C13H21F3N2O — CID 83091644

IUPAC1-(3-tert-butyl-1-methylpyrazol-4-yl)-5,5,5-trifluoropentan-1-ol
SMILESCn1cc(C(O)CCCC(F)(F)F)c(C(C)(C)C)n1
InChIInChI=1S/C13H21F3N2O/c1-12(2,3)11-9(8-18(4)17-11)10(19)6-5-7-13(14,15)16/h8,10,19H,5-7H2,1-4H3
InChIKeyKCUBOMFMSFYESZ-UHFFFAOYSA-N
MW278.32 g/mol
LogP3.48
Rot. Bonds4

About 1-(3-tert-butyl-1-methylpyrazol-4-yl)-5,5,5-trifluoropentan-1-ol

1-(3-tert-butyl-1-methylpyrazol-4-yl)-5,5,5-trifluoropentan-1-ol (PubChem CID 83091644) has the molecular formula C13H21F3N2O and a molecular weight of 278.32 g/mol. Its IUPAC name is 1-(3-tert-butyl-1-methylpyrazol-4-yl)-5,5,5-trifluoropentan-1-ol.

Molecular Properties

Compound Name1-(3-tert-butyl-1-methylpyrazol-4-yl)-5,5,5-trifluoropentan-1-ol
PubChem CID83091644
Molecular FormulaC13H21F3N2O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC Name1-(3-tert-butyl-1-methylpyrazol-4-yl)-5,5,5-trifluoropentan-1-ol
SMILESCn1cc(C(O)CCCC(F)(F)F)c(C(C)(C)C)n1
InChIInChI=1S/C13H21F3N2O/c1-12(2,3)11-9(8-18(4)17-11)10(19)6-5-7-13(14,15)16/h8,10,19H,5-7H2,1-4H3
InChIKeyKCUBOMFMSFYESZ-UHFFFAOYSA-N
XLogP3.48
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1-methylpyrazol-4-yl)-5,5,5-trifluoropentan-1-ol?
The IUPAC name of 1-(3-tert-butyl-1-methylpyrazol-4-yl)-5,5,5-trifluoropentan-1-ol (CID 83091644) is 1-(3-tert-butyl-1-methylpyrazol-4-yl)-5,5,5-trifluoropentan-1-ol.
What is the SMILES notation for 1-(3-tert-butyl-1-methylpyrazol-4-yl)-5,5,5-trifluoropentan-1-ol?
The canonical SMILES for 1-(3-tert-butyl-1-methylpyrazol-4-yl)-5,5,5-trifluoropentan-1-ol is Cn1cc(C(O)CCCC(F)(F)F)c(C(C)(C)C)n1.
What is the InChIKey of 1-(3-tert-butyl-1-methylpyrazol-4-yl)-5,5,5-trifluoropentan-1-ol?
The InChIKey is KCUBOMFMSFYESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O/c1-12(2,3)11-9(8-18(4)17-11)10(19)6-5-7-13(14,15)16/h8,10,19H,5-7H2,1-4H3.
What are the key properties of 1-(3-tert-butyl-1-methylpyrazol-4-yl)-5,5,5-trifluoropentan-1-ol?
1-(3-tert-butyl-1-methylpyrazol-4-yl)-5,5,5-trifluoropentan-1-ol has a molecular weight of 278.32 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1-methylpyrazol-4-yl)-5,5,5-trifluoropentan-1-ol is sourced from PubChem (CID 83091644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).