2-(1-methylpyrazol-4-yl)oxy-1-phenylethanol

C12H14N2O2 — CID 116793212

IUPAC2-(1-methylpyrazol-4-yl)oxy-1-phenylethanol
SMILESCn1cc(OCC(O)c2ccccc2)cn1
InChIInChI=1S/C12H14N2O2/c1-14-8-11(7-13-14)16-9-12(15)10-5-3-2-4-6-10/h2-8,12,15H,9H2,1H3
InChIKeyYTJBTAVFMBGDQE-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.53
Rot. Bonds4

About 2-(1-methylpyrazol-4-yl)oxy-1-phenylethanol

2-(1-methylpyrazol-4-yl)oxy-1-phenylethanol (PubChem CID 116793212) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)oxy-1-phenylethanol.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)oxy-1-phenylethanol
PubChem CID116793212
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-(1-methylpyrazol-4-yl)oxy-1-phenylethanol
SMILESCn1cc(OCC(O)c2ccccc2)cn1
InChIInChI=1S/C12H14N2O2/c1-14-8-11(7-13-14)16-9-12(15)10-5-3-2-4-6-10/h2-8,12,15H,9H2,1H3
InChIKeyYTJBTAVFMBGDQE-UHFFFAOYSA-N
XLogP1.53
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)oxy-1-phenylethanol?
The IUPAC name of 2-(1-methylpyrazol-4-yl)oxy-1-phenylethanol (CID 116793212) is 2-(1-methylpyrazol-4-yl)oxy-1-phenylethanol.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)oxy-1-phenylethanol?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)oxy-1-phenylethanol is Cn1cc(OCC(O)c2ccccc2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)oxy-1-phenylethanol?
The InChIKey is YTJBTAVFMBGDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-14-8-11(7-13-14)16-9-12(15)10-5-3-2-4-6-10/h2-8,12,15H,9H2,1H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)oxy-1-phenylethanol?
2-(1-methylpyrazol-4-yl)oxy-1-phenylethanol has a molecular weight of 218.26 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)oxy-1-phenylethanol is sourced from PubChem (CID 116793212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).