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

C6H11N3O — CID 83845449

IUPAC2-methyl-5-(methylaminomethyl)-1H-pyrazol-3-one
SMILESCNCc1cc(=O)n(C)[nH]1
InChIInChI=1S/C6H11N3O/c1-7-4-5-3-6(10)9(2)8-5/h3,7-8H,4H2,1-2H3
InChIKeyUSDNZXAHKFRONO-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.57
Rot. Bonds2

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

2-methyl-5-(methylaminomethyl)-1H-pyrazol-3-one (PubChem CID 83845449) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-methyl-5-(methylaminomethyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-methyl-5-(methylaminomethyl)-1H-pyrazol-3-one
PubChem CID83845449
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name2-methyl-5-(methylaminomethyl)-1H-pyrazol-3-one
SMILESCNCc1cc(=O)n(C)[nH]1
InChIInChI=1S/C6H11N3O/c1-7-4-5-3-6(10)9(2)8-5/h3,7-8H,4H2,1-2H3
InChIKeyUSDNZXAHKFRONO-UHFFFAOYSA-N
XLogP-0.57
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(methylaminomethyl)-1H-pyrazol-3-one?
The IUPAC name of 2-methyl-5-(methylaminomethyl)-1H-pyrazol-3-one (CID 83845449) is 2-methyl-5-(methylaminomethyl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-methyl-5-(methylaminomethyl)-1H-pyrazol-3-one?
The canonical SMILES for 2-methyl-5-(methylaminomethyl)-1H-pyrazol-3-one is CNCc1cc(=O)n(C)[nH]1.
What is the InChIKey of 2-methyl-5-(methylaminomethyl)-1H-pyrazol-3-one?
The InChIKey is USDNZXAHKFRONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-7-4-5-3-6(10)9(2)8-5/h3,7-8H,4H2,1-2H3.
What are the key properties of 2-methyl-5-(methylaminomethyl)-1H-pyrazol-3-one?
2-methyl-5-(methylaminomethyl)-1H-pyrazol-3-one has a molecular weight of 141.17 g/mol, XLogP of -0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(methylaminomethyl)-1H-pyrazol-3-one is sourced from PubChem (CID 83845449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).