4-(1-methylpyrazol-3-yl)pyrrolidin-2-one

C8H11N3O — CID 130876962

IUPAC4-(1-methylpyrazol-3-yl)pyrrolidin-2-one
SMILESCn1ccc(C2CNC(=O)C2)n1
InChIInChI=1S/C8H11N3O/c1-11-3-2-7(10-11)6-4-8(12)9-5-6/h2-3,6H,4-5H2,1H3,(H,9,12)
InChIKeyLDAVZGYXNCXLQQ-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.02
Rot. Bonds1

About 4-(1-methylpyrazol-3-yl)pyrrolidin-2-one

4-(1-methylpyrazol-3-yl)pyrrolidin-2-one (PubChem CID 130876962) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 4-(1-methylpyrazol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(1-methylpyrazol-3-yl)pyrrolidin-2-one
PubChem CID130876962
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name4-(1-methylpyrazol-3-yl)pyrrolidin-2-one
SMILESCn1ccc(C2CNC(=O)C2)n1
InChIInChI=1S/C8H11N3O/c1-11-3-2-7(10-11)6-4-8(12)9-5-6/h2-3,6H,4-5H2,1H3,(H,9,12)
InChIKeyLDAVZGYXNCXLQQ-UHFFFAOYSA-N
XLogP0.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-3-yl)pyrrolidin-2-one?
The IUPAC name of 4-(1-methylpyrazol-3-yl)pyrrolidin-2-one (CID 130876962) is 4-(1-methylpyrazol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(1-methylpyrazol-3-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(1-methylpyrazol-3-yl)pyrrolidin-2-one is Cn1ccc(C2CNC(=O)C2)n1.
What is the InChIKey of 4-(1-methylpyrazol-3-yl)pyrrolidin-2-one?
The InChIKey is LDAVZGYXNCXLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-11-3-2-7(10-11)6-4-8(12)9-5-6/h2-3,6H,4-5H2,1H3,(H,9,12).
What are the key properties of 4-(1-methylpyrazol-3-yl)pyrrolidin-2-one?
4-(1-methylpyrazol-3-yl)pyrrolidin-2-one has a molecular weight of 165.20 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 130876962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).