1-methyl-5-pyrazol-1-ylpyrrolidin-2-one

C8H11N3O — CID 162419225

IUPAC1-methyl-5-pyrazol-1-ylpyrrolidin-2-one
SMILESCN1C(=O)CCC1n1cccn1
InChIInChI=1S/C8H11N3O/c1-10-7(3-4-8(10)12)11-6-2-5-9-11/h2,5-7H,3-4H2,1H3
InChIKeyXVMHXKVVGJUOBH-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.63
Rot. Bonds1

About 1-methyl-5-pyrazol-1-ylpyrrolidin-2-one

1-methyl-5-pyrazol-1-ylpyrrolidin-2-one (PubChem CID 162419225) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 1-methyl-5-pyrazol-1-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-5-pyrazol-1-ylpyrrolidin-2-one
PubChem CID162419225
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name1-methyl-5-pyrazol-1-ylpyrrolidin-2-one
SMILESCN1C(=O)CCC1n1cccn1
InChIInChI=1S/C8H11N3O/c1-10-7(3-4-8(10)12)11-6-2-5-9-11/h2,5-7H,3-4H2,1H3
InChIKeyXVMHXKVVGJUOBH-UHFFFAOYSA-N
XLogP0.63
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-pyrazol-1-ylpyrrolidin-2-one?
The IUPAC name of 1-methyl-5-pyrazol-1-ylpyrrolidin-2-one (CID 162419225) is 1-methyl-5-pyrazol-1-ylpyrrolidin-2-one.
What is the SMILES notation for 1-methyl-5-pyrazol-1-ylpyrrolidin-2-one?
The canonical SMILES for 1-methyl-5-pyrazol-1-ylpyrrolidin-2-one is CN1C(=O)CCC1n1cccn1.
What is the InChIKey of 1-methyl-5-pyrazol-1-ylpyrrolidin-2-one?
The InChIKey is XVMHXKVVGJUOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-10-7(3-4-8(10)12)11-6-2-5-9-11/h2,5-7H,3-4H2,1H3.
What are the key properties of 1-methyl-5-pyrazol-1-ylpyrrolidin-2-one?
1-methyl-5-pyrazol-1-ylpyrrolidin-2-one has a molecular weight of 165.20 g/mol, XLogP of 0.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-pyrazol-1-ylpyrrolidin-2-one is sourced from PubChem (CID 162419225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).