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

C6H10N2O2 — CID 18377710

IUPAC2-(1-hydroxyethyl)-5-methyl-1H-pyrazol-3-one
SMILESCc1cc(=O)n(C(C)O)[nH]1
InChIInChI=1S/C6H10N2O2/c1-4-3-6(10)8(7-4)5(2)9/h3,5,7,9H,1-2H3
InChIKeyMRTYMLVGUZBOSS-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.00
Rot. Bonds1

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

2-(1-hydroxyethyl)-5-methyl-1H-pyrazol-3-one (PubChem CID 18377710) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 2-(1-hydroxyethyl)-5-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(1-hydroxyethyl)-5-methyl-1H-pyrazol-3-one
PubChem CID18377710
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name2-(1-hydroxyethyl)-5-methyl-1H-pyrazol-3-one
SMILESCc1cc(=O)n(C(C)O)[nH]1
InChIInChI=1S/C6H10N2O2/c1-4-3-6(10)8(7-4)5(2)9/h3,5,7,9H,1-2H3
InChIKeyMRTYMLVGUZBOSS-UHFFFAOYSA-N
XLogP-0.00
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyethyl)-5-methyl-1H-pyrazol-3-one?
The IUPAC name of 2-(1-hydroxyethyl)-5-methyl-1H-pyrazol-3-one (CID 18377710) is 2-(1-hydroxyethyl)-5-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-(1-hydroxyethyl)-5-methyl-1H-pyrazol-3-one?
The canonical SMILES for 2-(1-hydroxyethyl)-5-methyl-1H-pyrazol-3-one is Cc1cc(=O)n(C(C)O)[nH]1.
What is the InChIKey of 2-(1-hydroxyethyl)-5-methyl-1H-pyrazol-3-one?
The InChIKey is MRTYMLVGUZBOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-4-3-6(10)8(7-4)5(2)9/h3,5,7,9H,1-2H3.
What are the key properties of 2-(1-hydroxyethyl)-5-methyl-1H-pyrazol-3-one?
2-(1-hydroxyethyl)-5-methyl-1H-pyrazol-3-one has a molecular weight of 142.16 g/mol, XLogP of -0.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyethyl)-5-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 18377710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).