5-methyl-4-(2-propylpyrazol-3-yl)pyrrolidin-2-one

C11H17N3O — CID 114558095

IUPAC5-methyl-4-(2-propylpyrazol-3-yl)pyrrolidin-2-one
SMILESCCCn1nccc1C1CC(=O)NC1C
InChIInChI=1S/C11H17N3O/c1-3-6-14-10(4-5-12-14)9-7-11(15)13-8(9)2/h4-5,8-9H,3,6-7H2,1-2H3,(H,13,15)
InChIKeyKWVSGJMNELUQTL-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.29
Rot. Bonds3

About 5-methyl-4-(2-propylpyrazol-3-yl)pyrrolidin-2-one

5-methyl-4-(2-propylpyrazol-3-yl)pyrrolidin-2-one (PubChem CID 114558095) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-methyl-4-(2-propylpyrazol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-methyl-4-(2-propylpyrazol-3-yl)pyrrolidin-2-one
PubChem CID114558095
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5-methyl-4-(2-propylpyrazol-3-yl)pyrrolidin-2-one
SMILESCCCn1nccc1C1CC(=O)NC1C
InChIInChI=1S/C11H17N3O/c1-3-6-14-10(4-5-12-14)9-7-11(15)13-8(9)2/h4-5,8-9H,3,6-7H2,1-2H3,(H,13,15)
InChIKeyKWVSGJMNELUQTL-UHFFFAOYSA-N
XLogP1.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2-propylpyrazol-3-yl)pyrrolidin-2-one?
The IUPAC name of 5-methyl-4-(2-propylpyrazol-3-yl)pyrrolidin-2-one (CID 114558095) is 5-methyl-4-(2-propylpyrazol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 5-methyl-4-(2-propylpyrazol-3-yl)pyrrolidin-2-one?
The canonical SMILES for 5-methyl-4-(2-propylpyrazol-3-yl)pyrrolidin-2-one is CCCn1nccc1C1CC(=O)NC1C.
What is the InChIKey of 5-methyl-4-(2-propylpyrazol-3-yl)pyrrolidin-2-one?
The InChIKey is KWVSGJMNELUQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-6-14-10(4-5-12-14)9-7-11(15)13-8(9)2/h4-5,8-9H,3,6-7H2,1-2H3,(H,13,15).
What are the key properties of 5-methyl-4-(2-propylpyrazol-3-yl)pyrrolidin-2-one?
5-methyl-4-(2-propylpyrazol-3-yl)pyrrolidin-2-one has a molecular weight of 207.28 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2-propylpyrazol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 114558095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).