4-ethyl-5-methyl-1,2-dihydropyrazol-3-one

C6H10N2O — CID 4285010

IUPAC4-ethyl-5-methyl-1,2-dihydropyrazol-3-one
SMILESCCc1c(C)[nH][nH]c1=O
InChIInChI=1S/C6H10N2O/c1-3-5-4(2)7-8-6(5)9/h3H2,1-2H3,(H2,7,8,9)
InChIKeyGWJQJZWYODBHKG-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.57
Rot. Bonds1

About 4-ethyl-5-methyl-1,2-dihydropyrazol-3-one

4-ethyl-5-methyl-1,2-dihydropyrazol-3-one (PubChem CID 4285010) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 4-ethyl-5-methyl-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4-ethyl-5-methyl-1,2-dihydropyrazol-3-one
PubChem CID4285010
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name4-ethyl-5-methyl-1,2-dihydropyrazol-3-one
SMILESCCc1c(C)[nH][nH]c1=O
InChIInChI=1S/C6H10N2O/c1-3-5-4(2)7-8-6(5)9/h3H2,1-2H3,(H2,7,8,9)
InChIKeyGWJQJZWYODBHKG-UHFFFAOYSA-N
XLogP0.57
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-1,2-dihydropyrazol-3-one?
The IUPAC name of 4-ethyl-5-methyl-1,2-dihydropyrazol-3-one (CID 4285010) is 4-ethyl-5-methyl-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4-ethyl-5-methyl-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4-ethyl-5-methyl-1,2-dihydropyrazol-3-one is CCc1c(C)[nH][nH]c1=O.
What is the InChIKey of 4-ethyl-5-methyl-1,2-dihydropyrazol-3-one?
The InChIKey is GWJQJZWYODBHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-3-5-4(2)7-8-6(5)9/h3H2,1-2H3,(H2,7,8,9).
What are the key properties of 4-ethyl-5-methyl-1,2-dihydropyrazol-3-one?
4-ethyl-5-methyl-1,2-dihydropyrazol-3-one has a molecular weight of 126.16 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 4285010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).