tert-butyl [2-(4-hydroxyphenyl)-5-methylpyrazol-3-yl] carbonate

C15H18N2O4 — CID 25193533

IUPACtert-butyl [2-(4-hydroxyphenyl)-5-methylpyrazol-3-yl] carbonate
SMILESCc1cc(OC(=O)OC(C)(C)C)n(-c2ccc(O)cc2)n1
InChIInChI=1S/C15H18N2O4/c1-10-9-13(20-14(19)21-15(2,3)4)17(16-10)11-5-7-12(18)8-6-11/h5-9,18H,1-4H3
InChIKeyHKPJGXKXSUVUCO-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.20
Rot. Bonds2

About tert-butyl [2-(4-hydroxyphenyl)-5-methylpyrazol-3-yl] carbonate

tert-butyl [2-(4-hydroxyphenyl)-5-methylpyrazol-3-yl] carbonate (PubChem CID 25193533) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is tert-butyl [2-(4-hydroxyphenyl)-5-methylpyrazol-3-yl] carbonate.

Molecular Properties

Compound Nametert-butyl [2-(4-hydroxyphenyl)-5-methylpyrazol-3-yl] carbonate
PubChem CID25193533
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Nametert-butyl [2-(4-hydroxyphenyl)-5-methylpyrazol-3-yl] carbonate
SMILESCc1cc(OC(=O)OC(C)(C)C)n(-c2ccc(O)cc2)n1
InChIInChI=1S/C15H18N2O4/c1-10-9-13(20-14(19)21-15(2,3)4)17(16-10)11-5-7-12(18)8-6-11/h5-9,18H,1-4H3
InChIKeyHKPJGXKXSUVUCO-UHFFFAOYSA-N
XLogP3.20
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl [2-(4-hydroxyphenyl)-5-methylpyrazol-3-yl] carbonate?
The IUPAC name of tert-butyl [2-(4-hydroxyphenyl)-5-methylpyrazol-3-yl] carbonate (CID 25193533) is tert-butyl [2-(4-hydroxyphenyl)-5-methylpyrazol-3-yl] carbonate.
What is the SMILES notation for tert-butyl [2-(4-hydroxyphenyl)-5-methylpyrazol-3-yl] carbonate?
The canonical SMILES for tert-butyl [2-(4-hydroxyphenyl)-5-methylpyrazol-3-yl] carbonate is Cc1cc(OC(=O)OC(C)(C)C)n(-c2ccc(O)cc2)n1.
What is the InChIKey of tert-butyl [2-(4-hydroxyphenyl)-5-methylpyrazol-3-yl] carbonate?
The InChIKey is HKPJGXKXSUVUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-10-9-13(20-14(19)21-15(2,3)4)17(16-10)11-5-7-12(18)8-6-11/h5-9,18H,1-4H3.
What are the key properties of tert-butyl [2-(4-hydroxyphenyl)-5-methylpyrazol-3-yl] carbonate?
tert-butyl [2-(4-hydroxyphenyl)-5-methylpyrazol-3-yl] carbonate has a molecular weight of 290.32 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [2-(4-hydroxyphenyl)-5-methylpyrazol-3-yl] carbonate is sourced from PubChem (CID 25193533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).