2-[1-(2-aminoethyl)-5-methylpyrazol-4-yl]oxyphenol

C12H15N3O2 — CID 115039482

IUPAC2-[1-(2-aminoethyl)-5-methylpyrazol-4-yl]oxyphenol
SMILESCc1c(Oc2ccccc2O)cnn1CCN
InChIInChI=1S/C12H15N3O2/c1-9-12(8-14-15(9)7-6-13)17-11-5-3-2-4-10(11)16/h2-5,8,16H,6-7,13H2,1H3
InChIKeyXDMOFDYVQQNQGE-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.65
Rot. Bonds4

About 2-[1-(2-aminoethyl)-5-methylpyrazol-4-yl]oxyphenol

2-[1-(2-aminoethyl)-5-methylpyrazol-4-yl]oxyphenol (PubChem CID 115039482) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-[1-(2-aminoethyl)-5-methylpyrazol-4-yl]oxyphenol.

Molecular Properties

Compound Name2-[1-(2-aminoethyl)-5-methylpyrazol-4-yl]oxyphenol
PubChem CID115039482
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-[1-(2-aminoethyl)-5-methylpyrazol-4-yl]oxyphenol
SMILESCc1c(Oc2ccccc2O)cnn1CCN
InChIInChI=1S/C12H15N3O2/c1-9-12(8-14-15(9)7-6-13)17-11-5-3-2-4-10(11)16/h2-5,8,16H,6-7,13H2,1H3
InChIKeyXDMOFDYVQQNQGE-UHFFFAOYSA-N
XLogP1.65
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-aminoethyl)-5-methylpyrazol-4-yl]oxyphenol?
The IUPAC name of 2-[1-(2-aminoethyl)-5-methylpyrazol-4-yl]oxyphenol (CID 115039482) is 2-[1-(2-aminoethyl)-5-methylpyrazol-4-yl]oxyphenol.
What is the SMILES notation for 2-[1-(2-aminoethyl)-5-methylpyrazol-4-yl]oxyphenol?
The canonical SMILES for 2-[1-(2-aminoethyl)-5-methylpyrazol-4-yl]oxyphenol is Cc1c(Oc2ccccc2O)cnn1CCN.
What is the InChIKey of 2-[1-(2-aminoethyl)-5-methylpyrazol-4-yl]oxyphenol?
The InChIKey is XDMOFDYVQQNQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-9-12(8-14-15(9)7-6-13)17-11-5-3-2-4-10(11)16/h2-5,8,16H,6-7,13H2,1H3.
What are the key properties of 2-[1-(2-aminoethyl)-5-methylpyrazol-4-yl]oxyphenol?
2-[1-(2-aminoethyl)-5-methylpyrazol-4-yl]oxyphenol has a molecular weight of 233.27 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-aminoethyl)-5-methylpyrazol-4-yl]oxyphenol is sourced from PubChem (CID 115039482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).