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

C6H11N3O — CID 82651250

IUPAC5-methyl-4-(methylaminomethyl)-1,2-dihydropyrazol-3-one
SMILESCNCc1c(C)[nH][nH]c1=O
InChIInChI=1S/C6H11N3O/c1-4-5(3-7-2)6(10)9-8-4/h7H,3H2,1-2H3,(H2,8,9,10)
InChIKeyKWJPCLOQYRGVEM-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.27
Rot. Bonds2

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

5-methyl-4-(methylaminomethyl)-1,2-dihydropyrazol-3-one (PubChem CID 82651250) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 5-methyl-4-(methylaminomethyl)-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-methyl-4-(methylaminomethyl)-1,2-dihydropyrazol-3-one
PubChem CID82651250
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name5-methyl-4-(methylaminomethyl)-1,2-dihydropyrazol-3-one
SMILESCNCc1c(C)[nH][nH]c1=O
InChIInChI=1S/C6H11N3O/c1-4-5(3-7-2)6(10)9-8-4/h7H,3H2,1-2H3,(H2,8,9,10)
InChIKeyKWJPCLOQYRGVEM-UHFFFAOYSA-N
XLogP-0.27
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(methylaminomethyl)-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-methyl-4-(methylaminomethyl)-1,2-dihydropyrazol-3-one (CID 82651250) is 5-methyl-4-(methylaminomethyl)-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-methyl-4-(methylaminomethyl)-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-methyl-4-(methylaminomethyl)-1,2-dihydropyrazol-3-one is CNCc1c(C)[nH][nH]c1=O.
What is the InChIKey of 5-methyl-4-(methylaminomethyl)-1,2-dihydropyrazol-3-one?
The InChIKey is KWJPCLOQYRGVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-4-5(3-7-2)6(10)9-8-4/h7H,3H2,1-2H3,(H2,8,9,10).
What are the key properties of 5-methyl-4-(methylaminomethyl)-1,2-dihydropyrazol-3-one?
5-methyl-4-(methylaminomethyl)-1,2-dihydropyrazol-3-one has a molecular weight of 141.17 g/mol, XLogP of -0.27, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(methylaminomethyl)-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 82651250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).