2-[4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]phenol

C12H14N2O2 — CID 105472226

IUPAC2-[4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]phenol
SMILESCc1c(CCO)cnn1-c1ccccc1O
InChIInChI=1S/C12H14N2O2/c1-9-10(6-7-15)8-13-14(9)11-4-2-3-5-12(11)16/h2-5,8,15-16H,6-7H2,1H3
InChIKeyURMVOJXQOCMHDL-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.42
Rot. Bonds3

About 2-[4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]phenol

2-[4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]phenol (PubChem CID 105472226) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]phenol.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]phenol
PubChem CID105472226
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-[4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]phenol
SMILESCc1c(CCO)cnn1-c1ccccc1O
InChIInChI=1S/C12H14N2O2/c1-9-10(6-7-15)8-13-14(9)11-4-2-3-5-12(11)16/h2-5,8,15-16H,6-7H2,1H3
InChIKeyURMVOJXQOCMHDL-UHFFFAOYSA-N
XLogP1.42
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]phenol?
The IUPAC name of 2-[4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]phenol (CID 105472226) is 2-[4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]phenol.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]phenol?
The canonical SMILES for 2-[4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]phenol is Cc1c(CCO)cnn1-c1ccccc1O.
What is the InChIKey of 2-[4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]phenol?
The InChIKey is URMVOJXQOCMHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-9-10(6-7-15)8-13-14(9)11-4-2-3-5-12(11)16/h2-5,8,15-16H,6-7H2,1H3.
What are the key properties of 2-[4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]phenol?
2-[4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]phenol has a molecular weight of 218.26 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]phenol is sourced from PubChem (CID 105472226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).