5-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]pyrrolidin-2-one

C11H17ClN4O — CID 115639091

IUPAC5-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]pyrrolidin-2-one
SMILESCc1nn(C)c(Cl)c1CNCC1CCC(=O)N1
InChIInChI=1S/C11H17ClN4O/c1-7-9(11(12)16(2)15-7)6-13-5-8-3-4-10(17)14-8/h8,13H,3-6H2,1-2H3,(H,14,17)
InChIKeyYOIBBDOSJFKKBC-UHFFFAOYSA-N
MW256.74 g/mol
LogP0.75
Rot. Bonds4

About 5-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]pyrrolidin-2-one

5-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]pyrrolidin-2-one (PubChem CID 115639091) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 5-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]pyrrolidin-2-one
PubChem CID115639091
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name5-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]pyrrolidin-2-one
SMILESCc1nn(C)c(Cl)c1CNCC1CCC(=O)N1
InChIInChI=1S/C11H17ClN4O/c1-7-9(11(12)16(2)15-7)6-13-5-8-3-4-10(17)14-8/h8,13H,3-6H2,1-2H3,(H,14,17)
InChIKeyYOIBBDOSJFKKBC-UHFFFAOYSA-N
XLogP0.75
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]pyrrolidin-2-one (CID 115639091) is 5-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]pyrrolidin-2-one is Cc1nn(C)c(Cl)c1CNCC1CCC(=O)N1.
What is the InChIKey of 5-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]pyrrolidin-2-one?
The InChIKey is YOIBBDOSJFKKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-7-9(11(12)16(2)15-7)6-13-5-8-3-4-10(17)14-8/h8,13H,3-6H2,1-2H3,(H,14,17).
What are the key properties of 5-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]pyrrolidin-2-one?
5-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]pyrrolidin-2-one has a molecular weight of 256.74 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 115639091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).