1-(3-chlorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrrolidin-2-one

C16H19ClN4O — CID 71861486

IUPAC1-(3-chlorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrrolidin-2-one
SMILESCN(Cc1cnn(C)c1)C1CCN(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C16H19ClN4O/c1-19(10-12-9-18-20(2)11-12)15-6-7-21(16(15)22)14-5-3-4-13(17)8-14/h3-5,8-9,11,15H,6-7,10H2,1-2H3
InChIKeyDBTFZUJVVTXMLF-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.31
Rot. Bonds4

About 1-(3-chlorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrrolidin-2-one

1-(3-chlorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrrolidin-2-one (PubChem CID 71861486) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrrolidin-2-one
PubChem CID71861486
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name1-(3-chlorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrrolidin-2-one
SMILESCN(Cc1cnn(C)c1)C1CCN(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C16H19ClN4O/c1-19(10-12-9-18-20(2)11-12)15-6-7-21(16(15)22)14-5-3-4-13(17)8-14/h3-5,8-9,11,15H,6-7,10H2,1-2H3
InChIKeyDBTFZUJVVTXMLF-UHFFFAOYSA-N
XLogP2.31
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-chlorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]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-[4-(3-Chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 24793257
1-(3-chlorophenyl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)-2,5-pyrrolidinedione
CID 2841010
1-(3-Chloro-4-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione
CID 3791826
[4-(3-Chlorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 6466864
1-(4-((1-(4-chlorophenyl)-1H-pyrazol-4-yl)methyl)piperazin-1-yl)ethanone
CID 134819955
1-[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]-4-(3-chlorophenyl)piperazine
CID 716928
1-[3-[4-(3-Chlorophenyl)piperazin-1-yl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 24792023
1-(3-chlorophenyl)-4-{1-[(3-methyl-1H-pyrazol-1-yl)acetyl]-3-piperidinyl}piperazine
CID 24816692
5-{[{[3-(3-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}(isopropyl)amino]methyl}pyrrolidin-2-one
CID 16192375
1-(3-chlorophenyl)-4-{1-[3-(5-methyl-1H-pyrazol-1-yl)propanoyl]-3-piperidinyl}piperazine
CID 24790608
1-[2-(3-chlorophenyl)ethyl]-4-{[(1-ethyl-1H-pyrazol-4-yl)methyl]amino}-2-pyrrolidinone
CID 45245073
2-[4-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 49192631

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrrolidin-2-one?
The IUPAC name of 1-(3-chlorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrrolidin-2-one (CID 71861486) is 1-(3-chlorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrrolidin-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrrolidin-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrrolidin-2-one is CN(Cc1cnn(C)c1)C1CCN(c2cccc(Cl)c2)C1=O.
What is the InChIKey of 1-(3-chlorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrrolidin-2-one?
The InChIKey is DBTFZUJVVTXMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-19(10-12-9-18-20(2)11-12)15-6-7-21(16(15)22)14-5-3-4-13(17)8-14/h3-5,8-9,11,15H,6-7,10H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrrolidin-2-one?
1-(3-chlorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrrolidin-2-one has a molecular weight of 318.81 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrrolidin-2-one is sourced from PubChem (CID 71861486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).