2-ethyl-5-(methylaminomethyl)-1H-pyrazol-3-one

C7H13N3O — CID 83872800

IUPAC2-ethyl-5-(methylaminomethyl)-1H-pyrazol-3-one
SMILESCCn1[nH]c(CNC)cc1=O
InChIInChI=1S/C7H13N3O/c1-3-10-7(11)4-6(9-10)5-8-2/h4,8-9H,3,5H2,1-2H3
InChIKeyILZYYFAWHIFSBF-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.08
Rot. Bonds3

About 2-ethyl-5-(methylaminomethyl)-1H-pyrazol-3-one

2-ethyl-5-(methylaminomethyl)-1H-pyrazol-3-one (PubChem CID 83872800) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-ethyl-5-(methylaminomethyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-ethyl-5-(methylaminomethyl)-1H-pyrazol-3-one
PubChem CID83872800
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name2-ethyl-5-(methylaminomethyl)-1H-pyrazol-3-one
SMILESCCn1[nH]c(CNC)cc1=O
InChIInChI=1S/C7H13N3O/c1-3-10-7(11)4-6(9-10)5-8-2/h4,8-9H,3,5H2,1-2H3
InChIKeyILZYYFAWHIFSBF-UHFFFAOYSA-N
XLogP-0.08
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(methylaminomethyl)-1H-pyrazol-3-one?
The IUPAC name of 2-ethyl-5-(methylaminomethyl)-1H-pyrazol-3-one (CID 83872800) is 2-ethyl-5-(methylaminomethyl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-ethyl-5-(methylaminomethyl)-1H-pyrazol-3-one?
The canonical SMILES for 2-ethyl-5-(methylaminomethyl)-1H-pyrazol-3-one is CCn1[nH]c(CNC)cc1=O.
What is the InChIKey of 2-ethyl-5-(methylaminomethyl)-1H-pyrazol-3-one?
The InChIKey is ILZYYFAWHIFSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-3-10-7(11)4-6(9-10)5-8-2/h4,8-9H,3,5H2,1-2H3.
What are the key properties of 2-ethyl-5-(methylaminomethyl)-1H-pyrazol-3-one?
2-ethyl-5-(methylaminomethyl)-1H-pyrazol-3-one has a molecular weight of 155.20 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(methylaminomethyl)-1H-pyrazol-3-one is sourced from PubChem (CID 83872800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).