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

C12H19F3N2O — CID 83092250

IUPAC1-(3-tert-butyl-1-methylpyrazol-4-yl)-4,4,4-trifluorobutan-1-ol
SMILESCn1cc(C(O)CCC(F)(F)F)c(C(C)(C)C)n1
InChIInChI=1S/C12H19F3N2O/c1-11(2,3)10-8(7-17(4)16-10)9(18)5-6-12(13,14)15/h7,9,18H,5-6H2,1-4H3
InChIKeyFDLJDRACXNTZDR-UHFFFAOYSA-N
MW264.29 g/mol
LogP3.09
Rot. Bonds3

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

1-(3-tert-butyl-1-methylpyrazol-4-yl)-4,4,4-trifluorobutan-1-ol (PubChem CID 83092250) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is 1-(3-tert-butyl-1-methylpyrazol-4-yl)-4,4,4-trifluorobutan-1-ol.

Molecular Properties

Compound Name1-(3-tert-butyl-1-methylpyrazol-4-yl)-4,4,4-trifluorobutan-1-ol
PubChem CID83092250
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name1-(3-tert-butyl-1-methylpyrazol-4-yl)-4,4,4-trifluorobutan-1-ol
SMILESCn1cc(C(O)CCC(F)(F)F)c(C(C)(C)C)n1
InChIInChI=1S/C12H19F3N2O/c1-11(2,3)10-8(7-17(4)16-10)9(18)5-6-12(13,14)15/h7,9,18H,5-6H2,1-4H3
InChIKeyFDLJDRACXNTZDR-UHFFFAOYSA-N
XLogP3.09
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 53.09
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)-4,4,4-trifluorobutan-1-ol?
The IUPAC name of 1-(3-tert-butyl-1-methylpyrazol-4-yl)-4,4,4-trifluorobutan-1-ol (CID 83092250) is 1-(3-tert-butyl-1-methylpyrazol-4-yl)-4,4,4-trifluorobutan-1-ol.
What is the SMILES notation for 1-(3-tert-butyl-1-methylpyrazol-4-yl)-4,4,4-trifluorobutan-1-ol?
The canonical SMILES for 1-(3-tert-butyl-1-methylpyrazol-4-yl)-4,4,4-trifluorobutan-1-ol is Cn1cc(C(O)CCC(F)(F)F)c(C(C)(C)C)n1.
What is the InChIKey of 1-(3-tert-butyl-1-methylpyrazol-4-yl)-4,4,4-trifluorobutan-1-ol?
The InChIKey is FDLJDRACXNTZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c1-11(2,3)10-8(7-17(4)16-10)9(18)5-6-12(13,14)15/h7,9,18H,5-6H2,1-4H3.
What are the key properties of 1-(3-tert-butyl-1-methylpyrazol-4-yl)-4,4,4-trifluorobutan-1-ol?
1-(3-tert-butyl-1-methylpyrazol-4-yl)-4,4,4-trifluorobutan-1-ol has a molecular weight of 264.29 g/mol, XLogP of 3.09, 3 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)-4,4,4-trifluorobutan-1-ol is sourced from PubChem (CID 83092250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).