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

C14H18N2O2 — CID 117123478

IUPAC4-(2-hydroxyethyl)-2-phenyl-5-propan-2-yl-1H-pyrazol-3-one
SMILESCC(C)c1[nH]n(-c2ccccc2)c(=O)c1CCO
InChIInChI=1S/C14H18N2O2/c1-10(2)13-12(8-9-17)14(18)16(15-13)11-6-4-3-5-7-11/h3-7,10,15,17H,8-9H2,1-2H3
InChIKeyGGPAJPJHRHVZDE-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.82
Rot. Bonds4

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

4-(2-hydroxyethyl)-2-phenyl-5-propan-2-yl-1H-pyrazol-3-one (PubChem CID 117123478) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-2-phenyl-5-propan-2-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-2-phenyl-5-propan-2-yl-1H-pyrazol-3-one
PubChem CID117123478
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name4-(2-hydroxyethyl)-2-phenyl-5-propan-2-yl-1H-pyrazol-3-one
SMILESCC(C)c1[nH]n(-c2ccccc2)c(=O)c1CCO
InChIInChI=1S/C14H18N2O2/c1-10(2)13-12(8-9-17)14(18)16(15-13)11-6-4-3-5-7-11/h3-7,10,15,17H,8-9H2,1-2H3
InChIKeyGGPAJPJHRHVZDE-UHFFFAOYSA-N
XLogP1.82
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-2-phenyl-5-propan-2-yl-1H-pyrazol-3-one?
The IUPAC name of 4-(2-hydroxyethyl)-2-phenyl-5-propan-2-yl-1H-pyrazol-3-one (CID 117123478) is 4-(2-hydroxyethyl)-2-phenyl-5-propan-2-yl-1H-pyrazol-3-one.
What is the SMILES notation for 4-(2-hydroxyethyl)-2-phenyl-5-propan-2-yl-1H-pyrazol-3-one?
The canonical SMILES for 4-(2-hydroxyethyl)-2-phenyl-5-propan-2-yl-1H-pyrazol-3-one is CC(C)c1[nH]n(-c2ccccc2)c(=O)c1CCO.
What is the InChIKey of 4-(2-hydroxyethyl)-2-phenyl-5-propan-2-yl-1H-pyrazol-3-one?
The InChIKey is GGPAJPJHRHVZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(2)13-12(8-9-17)14(18)16(15-13)11-6-4-3-5-7-11/h3-7,10,15,17H,8-9H2,1-2H3.
What are the key properties of 4-(2-hydroxyethyl)-2-phenyl-5-propan-2-yl-1H-pyrazol-3-one?
4-(2-hydroxyethyl)-2-phenyl-5-propan-2-yl-1H-pyrazol-3-one has a molecular weight of 246.31 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-2-phenyl-5-propan-2-yl-1H-pyrazol-3-one is sourced from PubChem (CID 117123478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).