3-(cyclopropylamino)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-2-one

C12H18N4O — CID 82874672

IUPAC3-(cyclopropylamino)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-2-one
SMILESCn1ccc(CN2CCC(NC3CC3)C2=O)n1
InChIInChI=1S/C12H18N4O/c1-15-6-4-10(14-15)8-16-7-5-11(12(16)17)13-9-2-3-9/h4,6,9,11,13H,2-3,5,7-8H2,1H3
InChIKeyMLZUVFGYEYJDSM-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.27
Rot. Bonds4

About 3-(cyclopropylamino)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-2-one

3-(cyclopropylamino)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-2-one (PubChem CID 82874672) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-(cyclopropylamino)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-(cyclopropylamino)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-2-one
PubChem CID82874672
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name3-(cyclopropylamino)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-2-one
SMILESCn1ccc(CN2CCC(NC3CC3)C2=O)n1
InChIInChI=1S/C12H18N4O/c1-15-6-4-10(14-15)8-16-7-5-11(12(16)17)13-9-2-3-9/h4,6,9,11,13H,2-3,5,7-8H2,1H3
InChIKeyMLZUVFGYEYJDSM-UHFFFAOYSA-N
XLogP0.27
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(cyclopropylamino)-1-[(1-methylpyrazol-3-yl)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

Related Compounds

3-(cyclopropylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one
CID 79238622
1-[2-(1-methylpyrazol-3-yl)ethyl]-3-(propylamino)pyrrolidin-2-one
CID 106106502
3-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazin-2-one
CID 82877165
N-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 82866663
3-(cyclopropylamino)-1-[2-(triazol-1-yl)ethyl]pyrrolidin-2-one
CID 113413278
N-cyclopropyl-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrrolidin-3-amine
CID 114144133
N-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-amine
CID 82869947
8-[(1-methylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one
CID 82874575
3-(cyclopropylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-2-one
CID 79238476
1-[(1-methylpyrazol-3-yl)methyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670791
N-[3-[3-(cyclopropylamino)-2-oxopyrrolidin-1-yl]propyl]methanesulfonamide
CID 106338480
N-[[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]ethanamine
CID 82867061

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 3-(cyclopropylamino)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-2-one (CID 82874672) is 3-(cyclopropylamino)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 3-(cyclopropylamino)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 3-(cyclopropylamino)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-2-one is Cn1ccc(CN2CCC(NC3CC3)C2=O)n1.
What is the InChIKey of 3-(cyclopropylamino)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-2-one?
The InChIKey is MLZUVFGYEYJDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-15-6-4-10(14-15)8-16-7-5-11(12(16)17)13-9-2-3-9/h4,6,9,11,13H,2-3,5,7-8H2,1H3.
What are the key properties of 3-(cyclopropylamino)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-2-one?
3-(cyclopropylamino)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-2-one has a molecular weight of 234.30 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 82874672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).