(4S)-4-(2-hydroxyethyl)-3-methyl-1,4-dihydropyrazol-5-one

C6H10N2O2 — CID 775773

IUPAC(4S)-4-(2-hydroxyethyl)-3-methyl-1,4-dihydropyrazol-5-one
SMILESCC1=NNC(=O)[C@H]1CCO
InChIInChI=1S/C6H10N2O2/c1-4-5(2-3-9)6(10)8-7-4/h5,9H,2-3H2,1H3,(H,8,10)/t5-/m0/s1
InChIKeyGCKLKGJKIRVDQB-YFKPBYRVSA-N
MW142.16 g/mol
LogP-0.51
Rot. Bonds2

About (4S)-4-(2-hydroxyethyl)-3-methyl-1,4-dihydropyrazol-5-one

(4S)-4-(2-hydroxyethyl)-3-methyl-1,4-dihydropyrazol-5-one (PubChem CID 775773) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is (4S)-4-(2-hydroxyethyl)-3-methyl-1,4-dihydropyrazol-5-one.

Molecular Properties

Compound Name(4S)-4-(2-hydroxyethyl)-3-methyl-1,4-dihydropyrazol-5-one
PubChem CID775773
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name(4S)-4-(2-hydroxyethyl)-3-methyl-1,4-dihydropyrazol-5-one
SMILESCC1=NNC(=O)[C@H]1CCO
InChIInChI=1S/C6H10N2O2/c1-4-5(2-3-9)6(10)8-7-4/h5,9H,2-3H2,1H3,(H,8,10)/t5-/m0/s1
InChIKeyGCKLKGJKIRVDQB-YFKPBYRVSA-N
XLogP-0.51
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4S)-4-(2-hydroxyethyl)-3-methyl-1,4-dihydropyrazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-hydroxyethyl)-3-methyl-1,4-dihydropyrazol-5-one?
The IUPAC name of (4S)-4-(2-hydroxyethyl)-3-methyl-1,4-dihydropyrazol-5-one (CID 775773) is (4S)-4-(2-hydroxyethyl)-3-methyl-1,4-dihydropyrazol-5-one.
What is the SMILES notation for (4S)-4-(2-hydroxyethyl)-3-methyl-1,4-dihydropyrazol-5-one?
The canonical SMILES for (4S)-4-(2-hydroxyethyl)-3-methyl-1,4-dihydropyrazol-5-one is CC1=NNC(=O)[C@H]1CCO.
What is the InChIKey of (4S)-4-(2-hydroxyethyl)-3-methyl-1,4-dihydropyrazol-5-one?
The InChIKey is GCKLKGJKIRVDQB-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-4-5(2-3-9)6(10)8-7-4/h5,9H,2-3H2,1H3,(H,8,10)/t5-/m0/s1.
What are the key properties of (4S)-4-(2-hydroxyethyl)-3-methyl-1,4-dihydropyrazol-5-one?
(4S)-4-(2-hydroxyethyl)-3-methyl-1,4-dihydropyrazol-5-one has a molecular weight of 142.16 g/mol, XLogP of -0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-hydroxyethyl)-3-methyl-1,4-dihydropyrazol-5-one is sourced from PubChem (CID 775773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).