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

C9H16N2O2 — CID 130536484

IUPAC4-ethyl-2-(2-hydroxypropyl)-5-methyl-1H-pyrazol-3-one
SMILESCCc1c(C)[nH]n(CC(C)O)c1=O
InChIInChI=1S/C9H16N2O2/c1-4-8-7(3)10-11(9(8)13)5-6(2)12/h6,10,12H,4-5H2,1-3H3
InChIKeyOCTCQRZDPQHWEO-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.43
Rot. Bonds3

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

4-ethyl-2-(2-hydroxypropyl)-5-methyl-1H-pyrazol-3-one (PubChem CID 130536484) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 4-ethyl-2-(2-hydroxypropyl)-5-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-ethyl-2-(2-hydroxypropyl)-5-methyl-1H-pyrazol-3-one
PubChem CID130536484
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name4-ethyl-2-(2-hydroxypropyl)-5-methyl-1H-pyrazol-3-one
SMILESCCc1c(C)[nH]n(CC(C)O)c1=O
InChIInChI=1S/C9H16N2O2/c1-4-8-7(3)10-11(9(8)13)5-6(2)12/h6,10,12H,4-5H2,1-3H3
InChIKeyOCTCQRZDPQHWEO-UHFFFAOYSA-N
XLogP0.43
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(2-hydroxypropyl)-5-methyl-1H-pyrazol-3-one?
The IUPAC name of 4-ethyl-2-(2-hydroxypropyl)-5-methyl-1H-pyrazol-3-one (CID 130536484) is 4-ethyl-2-(2-hydroxypropyl)-5-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-ethyl-2-(2-hydroxypropyl)-5-methyl-1H-pyrazol-3-one?
The canonical SMILES for 4-ethyl-2-(2-hydroxypropyl)-5-methyl-1H-pyrazol-3-one is CCc1c(C)[nH]n(CC(C)O)c1=O.
What is the InChIKey of 4-ethyl-2-(2-hydroxypropyl)-5-methyl-1H-pyrazol-3-one?
The InChIKey is OCTCQRZDPQHWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-4-8-7(3)10-11(9(8)13)5-6(2)12/h6,10,12H,4-5H2,1-3H3.
What are the key properties of 4-ethyl-2-(2-hydroxypropyl)-5-methyl-1H-pyrazol-3-one?
4-ethyl-2-(2-hydroxypropyl)-5-methyl-1H-pyrazol-3-one has a molecular weight of 184.24 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(2-hydroxypropyl)-5-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 130536484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).