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

C6H10N2O — CID 824868

IUPAC(4S)-4-ethyl-3-methyl-1,4-dihydropyrazol-5-one
SMILESCC[C@@H]1C(=O)NN=C1C
InChIInChI=1S/C6H10N2O/c1-3-5-4(2)7-8-6(5)9/h5H,3H2,1-2H3,(H,8,9)/t5-/m0/s1
InChIKeyUXHVLIUKMCNXNV-YFKPBYRVSA-N
MW126.16 g/mol
LogP0.52
Rot. Bonds1

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

(4S)-4-ethyl-3-methyl-1,4-dihydropyrazol-5-one (PubChem CID 824868) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is (4S)-4-ethyl-3-methyl-1,4-dihydropyrazol-5-one.

Molecular Properties

Compound Name(4S)-4-ethyl-3-methyl-1,4-dihydropyrazol-5-one
PubChem CID824868
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name(4S)-4-ethyl-3-methyl-1,4-dihydropyrazol-5-one
SMILESCC[C@@H]1C(=O)NN=C1C
InChIInChI=1S/C6H10N2O/c1-3-5-4(2)7-8-6(5)9/h5H,3H2,1-2H3,(H,8,9)/t5-/m0/s1
InChIKeyUXHVLIUKMCNXNV-YFKPBYRVSA-N
XLogP0.52
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-ethyl-3-methyl-1,4-dihydropyrazol-5-one?
The IUPAC name of (4S)-4-ethyl-3-methyl-1,4-dihydropyrazol-5-one (CID 824868) is (4S)-4-ethyl-3-methyl-1,4-dihydropyrazol-5-one.
What is the SMILES notation for (4S)-4-ethyl-3-methyl-1,4-dihydropyrazol-5-one?
The canonical SMILES for (4S)-4-ethyl-3-methyl-1,4-dihydropyrazol-5-one is CC[C@@H]1C(=O)NN=C1C.
What is the InChIKey of (4S)-4-ethyl-3-methyl-1,4-dihydropyrazol-5-one?
The InChIKey is UXHVLIUKMCNXNV-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10N2O/c1-3-5-4(2)7-8-6(5)9/h5H,3H2,1-2H3,(H,8,9)/t5-/m0/s1.
What are the key properties of (4S)-4-ethyl-3-methyl-1,4-dihydropyrazol-5-one?
(4S)-4-ethyl-3-methyl-1,4-dihydropyrazol-5-one has a molecular weight of 126.16 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-ethyl-3-methyl-1,4-dihydropyrazol-5-one is sourced from PubChem (CID 824868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).