3-(1-tert-butylpyrazol-4-yl)oxyphenol

C13H16N2O2 — CID 117229457

IUPAC3-(1-tert-butylpyrazol-4-yl)oxyphenol
SMILESCC(C)(C)n1cc(Oc2cccc(O)c2)cn1
InChIInChI=1S/C13H16N2O2/c1-13(2,3)15-9-12(8-14-15)17-11-6-4-5-10(16)7-11/h4-9,16H,1-3H3
InChIKeyVSMUEGLITPTQOP-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.14
Rot. Bonds2

About 3-(1-tert-butylpyrazol-4-yl)oxyphenol

3-(1-tert-butylpyrazol-4-yl)oxyphenol (PubChem CID 117229457) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-(1-tert-butylpyrazol-4-yl)oxyphenol.

Molecular Properties

Compound Name3-(1-tert-butylpyrazol-4-yl)oxyphenol
PubChem CID117229457
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-(1-tert-butylpyrazol-4-yl)oxyphenol
SMILESCC(C)(C)n1cc(Oc2cccc(O)c2)cn1
InChIInChI=1S/C13H16N2O2/c1-13(2,3)15-9-12(8-14-15)17-11-6-4-5-10(16)7-11/h4-9,16H,1-3H3
InChIKeyVSMUEGLITPTQOP-UHFFFAOYSA-N
XLogP3.14
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-4-(3-chlorophenoxy)pyrazole
CID 117229451
3-[1-(aminomethyl)pyrazol-4-yl]oxyphenol
CID 117125233
2-[4-(3-hydroxyphenoxy)pyrazol-1-yl]phenol
CID 117229367
3-[1-(2-hydroxypropyl)pyrazol-4-yl]oxyphenol
CID 117124853
1-tert-butyl-4-(4-fluorophenoxy)pyrazole
CID 117229577
3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]oxyphenol
CID 117125332
3-[1-(4-chlorophenyl)pyrazol-4-yl]oxyphenol
CID 117229418
3-[1-(3-fluorophenyl)pyrazol-4-yl]oxyphenol
CID 117229390
4-[3-(3-hydroxyphenoxy)phenoxy]benzoic acid
CID 10426260
3-[3-(trifluoromethyl)phenoxy]phenol
CID 15667768
3-(5-bromo-1-methylimidazol-2-yl)oxyphenol
CID 117190479
(1-tert-butylpyrazol-4-yl) N,N-dimethylcarbamate
CID 13206777

Frequently Asked Questions

What is the IUPAC name of 3-(1-tert-butylpyrazol-4-yl)oxyphenol?
The IUPAC name of 3-(1-tert-butylpyrazol-4-yl)oxyphenol (CID 117229457) is 3-(1-tert-butylpyrazol-4-yl)oxyphenol.
What is the SMILES notation for 3-(1-tert-butylpyrazol-4-yl)oxyphenol?
The canonical SMILES for 3-(1-tert-butylpyrazol-4-yl)oxyphenol is CC(C)(C)n1cc(Oc2cccc(O)c2)cn1.
What is the InChIKey of 3-(1-tert-butylpyrazol-4-yl)oxyphenol?
The InChIKey is VSMUEGLITPTQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-13(2,3)15-9-12(8-14-15)17-11-6-4-5-10(16)7-11/h4-9,16H,1-3H3.
What are the key properties of 3-(1-tert-butylpyrazol-4-yl)oxyphenol?
3-(1-tert-butylpyrazol-4-yl)oxyphenol has a molecular weight of 232.28 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-tert-butylpyrazol-4-yl)oxyphenol is sourced from PubChem (CID 117229457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).