4-(2-hydroxyethyl)-5-methyl-2-phenyl-1H-pyrazol-3-one

C12H14N2O2 — CID 2763690

IUPAC4-(2-hydroxyethyl)-5-methyl-2-phenyl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1CCO
InChIInChI=1S/C12H14N2O2/c1-9-11(7-8-15)12(16)14(13-9)10-5-3-2-4-6-10/h2-6,13,15H,7-8H2,1H3
InChIKeyJQICUSPEMWKTSQ-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.01
Rot. Bonds3

About 4-(2-hydroxyethyl)-5-methyl-2-phenyl-1H-pyrazol-3-one

4-(2-hydroxyethyl)-5-methyl-2-phenyl-1H-pyrazol-3-one (PubChem CID 2763690) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-5-methyl-2-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-5-methyl-2-phenyl-1H-pyrazol-3-one
PubChem CID2763690
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name4-(2-hydroxyethyl)-5-methyl-2-phenyl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1CCO
InChIInChI=1S/C12H14N2O2/c1-9-11(7-8-15)12(16)14(13-9)10-5-3-2-4-6-10/h2-6,13,15H,7-8H2,1H3
InChIKeyJQICUSPEMWKTSQ-UHFFFAOYSA-N
XLogP1.01
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-5-methyl-2-phenyl-1H-pyrazol-3-one?
The IUPAC name of 4-(2-hydroxyethyl)-5-methyl-2-phenyl-1H-pyrazol-3-one (CID 2763690) is 4-(2-hydroxyethyl)-5-methyl-2-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-(2-hydroxyethyl)-5-methyl-2-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 4-(2-hydroxyethyl)-5-methyl-2-phenyl-1H-pyrazol-3-one is Cc1[nH]n(-c2ccccc2)c(=O)c1CCO.
What is the InChIKey of 4-(2-hydroxyethyl)-5-methyl-2-phenyl-1H-pyrazol-3-one?
The InChIKey is JQICUSPEMWKTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-9-11(7-8-15)12(16)14(13-9)10-5-3-2-4-6-10/h2-6,13,15H,7-8H2,1H3.
What are the key properties of 4-(2-hydroxyethyl)-5-methyl-2-phenyl-1H-pyrazol-3-one?
4-(2-hydroxyethyl)-5-methyl-2-phenyl-1H-pyrazol-3-one has a molecular weight of 218.26 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-5-methyl-2-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 2763690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).