2-[2-(dimethylamino)ethyl]-5-methyl-1H-pyrazol-3-one

C8H15N3O — CID 66020274

IUPAC2-[2-(dimethylamino)ethyl]-5-methyl-1H-pyrazol-3-one
SMILESCc1cc(=O)n(CCN(C)C)[nH]1
InChIInChI=1S/C8H15N3O/c1-7-6-8(12)11(9-7)5-4-10(2)3/h6,9H,4-5H2,1-3H3
InChIKeyHLJPQGZYWZPZJA-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.05
Rot. Bonds3

About 2-[2-(dimethylamino)ethyl]-5-methyl-1H-pyrazol-3-one

2-[2-(dimethylamino)ethyl]-5-methyl-1H-pyrazol-3-one (PubChem CID 66020274) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-5-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-5-methyl-1H-pyrazol-3-one
PubChem CID66020274
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-[2-(dimethylamino)ethyl]-5-methyl-1H-pyrazol-3-one
SMILESCc1cc(=O)n(CCN(C)C)[nH]1
InChIInChI=1S/C8H15N3O/c1-7-6-8(12)11(9-7)5-4-10(2)3/h6,9H,4-5H2,1-3H3
InChIKeyHLJPQGZYWZPZJA-UHFFFAOYSA-N
XLogP0.05
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-5-methyl-1H-pyrazol-3-one?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-5-methyl-1H-pyrazol-3-one (CID 66020274) is 2-[2-(dimethylamino)ethyl]-5-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-5-methyl-1H-pyrazol-3-one?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-5-methyl-1H-pyrazol-3-one is Cc1cc(=O)n(CCN(C)C)[nH]1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-5-methyl-1H-pyrazol-3-one?
The InChIKey is HLJPQGZYWZPZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-7-6-8(12)11(9-7)5-4-10(2)3/h6,9H,4-5H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-5-methyl-1H-pyrazol-3-one?
2-[2-(dimethylamino)ethyl]-5-methyl-1H-pyrazol-3-one has a molecular weight of 169.23 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-5-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 66020274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).