5-benzyl-4-(2-methylpyrazol-3-yl)pyrrolidin-2-one

C15H17N3O — CID 114554593

IUPAC5-benzyl-4-(2-methylpyrazol-3-yl)pyrrolidin-2-one
SMILESCn1nccc1C1CC(=O)NC1Cc1ccccc1
InChIInChI=1S/C15H17N3O/c1-18-14(7-8-16-18)12-10-15(19)17-13(12)9-11-5-3-2-4-6-11/h2-8,12-13H,9-10H2,1H3,(H,17,19)
InChIKeyFAHANFDSAMDVHG-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.63
Rot. Bonds3

About 5-benzyl-4-(2-methylpyrazol-3-yl)pyrrolidin-2-one

5-benzyl-4-(2-methylpyrazol-3-yl)pyrrolidin-2-one (PubChem CID 114554593) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-benzyl-4-(2-methylpyrazol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-benzyl-4-(2-methylpyrazol-3-yl)pyrrolidin-2-one
PubChem CID114554593
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name5-benzyl-4-(2-methylpyrazol-3-yl)pyrrolidin-2-one
SMILESCn1nccc1C1CC(=O)NC1Cc1ccccc1
InChIInChI=1S/C15H17N3O/c1-18-14(7-8-16-18)12-10-15(19)17-13(12)9-11-5-3-2-4-6-11/h2-8,12-13H,9-10H2,1H3,(H,17,19)
InChIKeyFAHANFDSAMDVHG-UHFFFAOYSA-N
XLogP1.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-(2-methylpyrazol-3-yl)pyrrolidin-2-one?
The IUPAC name of 5-benzyl-4-(2-methylpyrazol-3-yl)pyrrolidin-2-one (CID 114554593) is 5-benzyl-4-(2-methylpyrazol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 5-benzyl-4-(2-methylpyrazol-3-yl)pyrrolidin-2-one?
The canonical SMILES for 5-benzyl-4-(2-methylpyrazol-3-yl)pyrrolidin-2-one is Cn1nccc1C1CC(=O)NC1Cc1ccccc1.
What is the InChIKey of 5-benzyl-4-(2-methylpyrazol-3-yl)pyrrolidin-2-one?
The InChIKey is FAHANFDSAMDVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-18-14(7-8-16-18)12-10-15(19)17-13(12)9-11-5-3-2-4-6-11/h2-8,12-13H,9-10H2,1H3,(H,17,19).
What are the key properties of 5-benzyl-4-(2-methylpyrazol-3-yl)pyrrolidin-2-one?
5-benzyl-4-(2-methylpyrazol-3-yl)pyrrolidin-2-one has a molecular weight of 255.32 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-(2-methylpyrazol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 114554593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).