5-tert-butyl-3-(2-ethoxy-4-fluorophenyl)-1H-pyrazole

C15H19FN2O — CID 58898675

IUPAC5-tert-butyl-3-(2-ethoxy-4-fluorophenyl)-1H-pyrazole
SMILESCCOc1cc(F)ccc1-c1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C15H19FN2O/c1-5-19-13-8-10(16)6-7-11(13)12-9-14(18-17-12)15(2,3)4/h6-9H,5H2,1-4H3,(H,17,18)
InChIKeyWFKISOAEXZICAJ-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.91
Rot. Bonds3

About 5-tert-butyl-3-(2-ethoxy-4-fluorophenyl)-1H-pyrazole

5-tert-butyl-3-(2-ethoxy-4-fluorophenyl)-1H-pyrazole (PubChem CID 58898675) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 5-tert-butyl-3-(2-ethoxy-4-fluorophenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-tert-butyl-3-(2-ethoxy-4-fluorophenyl)-1H-pyrazole
PubChem CID58898675
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name5-tert-butyl-3-(2-ethoxy-4-fluorophenyl)-1H-pyrazole
SMILESCCOc1cc(F)ccc1-c1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C15H19FN2O/c1-5-19-13-8-10(16)6-7-11(13)12-9-14(18-17-12)15(2,3)4/h6-9H,5H2,1-4H3,(H,17,18)
InChIKeyWFKISOAEXZICAJ-UHFFFAOYSA-N
XLogP3.91
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-(2-ethoxy-4-fluorophenyl)-1H-pyrazole?
The IUPAC name of 5-tert-butyl-3-(2-ethoxy-4-fluorophenyl)-1H-pyrazole (CID 58898675) is 5-tert-butyl-3-(2-ethoxy-4-fluorophenyl)-1H-pyrazole.
What is the SMILES notation for 5-tert-butyl-3-(2-ethoxy-4-fluorophenyl)-1H-pyrazole?
The canonical SMILES for 5-tert-butyl-3-(2-ethoxy-4-fluorophenyl)-1H-pyrazole is CCOc1cc(F)ccc1-c1cc(C(C)(C)C)[nH]n1.
What is the InChIKey of 5-tert-butyl-3-(2-ethoxy-4-fluorophenyl)-1H-pyrazole?
The InChIKey is WFKISOAEXZICAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-5-19-13-8-10(16)6-7-11(13)12-9-14(18-17-12)15(2,3)4/h6-9H,5H2,1-4H3,(H,17,18).
What are the key properties of 5-tert-butyl-3-(2-ethoxy-4-fluorophenyl)-1H-pyrazole?
5-tert-butyl-3-(2-ethoxy-4-fluorophenyl)-1H-pyrazole has a molecular weight of 262.33 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-(2-ethoxy-4-fluorophenyl)-1H-pyrazole is sourced from PubChem (CID 58898675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).