1-(1-methylpyrazol-3-yl)pyrrolidin-2-one

C8H11N3O — CID 50742723

IUPAC1-(1-methylpyrazol-3-yl)pyrrolidin-2-one
SMILESCn1ccc(N2CCCC2=O)n1
InChIInChI=1S/C8H11N3O/c1-10-6-4-7(9-10)11-5-2-3-8(11)12/h4,6H,2-3,5H2,1H3
InChIKeyDAOMPUNMNCCDQH-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.55
Rot. Bonds1

About 1-(1-methylpyrazol-3-yl)pyrrolidin-2-one

1-(1-methylpyrazol-3-yl)pyrrolidin-2-one (PubChem CID 50742723) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)pyrrolidin-2-one
PubChem CID50742723
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name1-(1-methylpyrazol-3-yl)pyrrolidin-2-one
SMILESCn1ccc(N2CCCC2=O)n1
InChIInChI=1S/C8H11N3O/c1-10-6-4-7(9-10)11-5-2-3-8(11)12/h4,6H,2-3,5H2,1H3
InChIKeyDAOMPUNMNCCDQH-UHFFFAOYSA-N
XLogP0.55
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 ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)pyrrolidin-2-one?
The IUPAC name of 1-(1-methylpyrazol-3-yl)pyrrolidin-2-one (CID 50742723) is 1-(1-methylpyrazol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)pyrrolidin-2-one is Cn1ccc(N2CCCC2=O)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)pyrrolidin-2-one?
The InChIKey is DAOMPUNMNCCDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-10-6-4-7(9-10)11-5-2-3-8(11)12/h4,6H,2-3,5H2,1H3.
What are the key properties of 1-(1-methylpyrazol-3-yl)pyrrolidin-2-one?
1-(1-methylpyrazol-3-yl)pyrrolidin-2-one has a molecular weight of 165.20 g/mol, XLogP of 0.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 50742723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).