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

C8H14N2O2 — CID 117123413

IUPAC2-ethyl-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one
SMILESCCn1[nH]c(C)c(CCO)c1=O
InChIInChI=1S/C8H14N2O2/c1-3-10-8(12)7(4-5-11)6(2)9-10/h9,11H,3-5H2,1-2H3
InChIKeyURUJULYZQJKLOK-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.04
Rot. Bonds3

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

2-ethyl-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one (PubChem CID 117123413) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-ethyl-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-ethyl-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one
PubChem CID117123413
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name2-ethyl-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one
SMILESCCn1[nH]c(C)c(CCO)c1=O
InChIInChI=1S/C8H14N2O2/c1-3-10-8(12)7(4-5-11)6(2)9-10/h9,11H,3-5H2,1-2H3
InChIKeyURUJULYZQJKLOK-UHFFFAOYSA-N
XLogP0.04
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one?
The IUPAC name of 2-ethyl-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one (CID 117123413) is 2-ethyl-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-ethyl-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one?
The canonical SMILES for 2-ethyl-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one is CCn1[nH]c(C)c(CCO)c1=O.
What is the InChIKey of 2-ethyl-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one?
The InChIKey is URUJULYZQJKLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-3-10-8(12)7(4-5-11)6(2)9-10/h9,11H,3-5H2,1-2H3.
What are the key properties of 2-ethyl-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one?
2-ethyl-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one has a molecular weight of 170.21 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 117123413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).