2-[1-[2-(hydroxymethyl)phenyl]pyrazol-4-yl]ethanol

C12H14N2O2 — CID 50977778

IUPAC2-[1-[2-(hydroxymethyl)phenyl]pyrazol-4-yl]ethanol
SMILESOCCc1cnn(-c2ccccc2CO)c1
InChIInChI=1S/C12H14N2O2/c15-6-5-10-7-13-14(8-10)12-4-2-1-3-11(12)9-16/h1-4,7-8,15-16H,5-6,9H2
InChIKeyKQIWUBVJKJXTEM-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.90
Rot. Bonds4

About 2-[1-[2-(hydroxymethyl)phenyl]pyrazol-4-yl]ethanol

2-[1-[2-(hydroxymethyl)phenyl]pyrazol-4-yl]ethanol (PubChem CID 50977778) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-[1-[2-(hydroxymethyl)phenyl]pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-(hydroxymethyl)phenyl]pyrazol-4-yl]ethanol
PubChem CID50977778
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-[1-[2-(hydroxymethyl)phenyl]pyrazol-4-yl]ethanol
SMILESOCCc1cnn(-c2ccccc2CO)c1
InChIInChI=1S/C12H14N2O2/c15-6-5-10-7-13-14(8-10)12-4-2-1-3-11(12)9-16/h1-4,7-8,15-16H,5-6,9H2
InChIKeyKQIWUBVJKJXTEM-UHFFFAOYSA-N
XLogP0.90
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(hydroxymethyl)phenyl]pyrazol-4-yl]ethanol?
The IUPAC name of 2-[1-[2-(hydroxymethyl)phenyl]pyrazol-4-yl]ethanol (CID 50977778) is 2-[1-[2-(hydroxymethyl)phenyl]pyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[2-(hydroxymethyl)phenyl]pyrazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[2-(hydroxymethyl)phenyl]pyrazol-4-yl]ethanol is OCCc1cnn(-c2ccccc2CO)c1.
What is the InChIKey of 2-[1-[2-(hydroxymethyl)phenyl]pyrazol-4-yl]ethanol?
The InChIKey is KQIWUBVJKJXTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c15-6-5-10-7-13-14(8-10)12-4-2-1-3-11(12)9-16/h1-4,7-8,15-16H,5-6,9H2.
What are the key properties of 2-[1-[2-(hydroxymethyl)phenyl]pyrazol-4-yl]ethanol?
2-[1-[2-(hydroxymethyl)phenyl]pyrazol-4-yl]ethanol has a molecular weight of 218.26 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(hydroxymethyl)phenyl]pyrazol-4-yl]ethanol is sourced from PubChem (CID 50977778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).