(3R)-4-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-methyl-1-propylpiperazine-2,5-dione

C20H26N4O2 — CID 165423592

IUPAC(3R)-4-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-methyl-1-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(Cc2cccc(-n3nc(C)cc3C)c2)[C@H](C)C1=O
InChIInChI=1S/C20H26N4O2/c1-5-9-22-13-19(25)23(16(4)20(22)26)12-17-7-6-8-18(11-17)24-15(3)10-14(2)21-24/h6-8,10-11,16H,5,9,12-13H2,1-4H3/t16-/m1/s1
InChIKeyIHGMFLRLODGFMY-MRXNPFEDSA-N
MW354.45 g/mol
LogP2.46
Rot. Bonds5

About (3R)-4-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-methyl-1-propylpiperazine-2,5-dione

(3R)-4-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-methyl-1-propylpiperazine-2,5-dione (PubChem CID 165423592) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is (3R)-4-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-methyl-1-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3R)-4-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-methyl-1-propylpiperazine-2,5-dione
PubChem CID165423592
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name(3R)-4-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-methyl-1-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(Cc2cccc(-n3nc(C)cc3C)c2)[C@H](C)C1=O
InChIInChI=1S/C20H26N4O2/c1-5-9-22-13-19(25)23(16(4)20(22)26)12-17-7-6-8-18(11-17)24-15(3)10-14(2)21-24/h6-8,10-11,16H,5,9,12-13H2,1-4H3/t16-/m1/s1
InChIKeyIHGMFLRLODGFMY-MRXNPFEDSA-N
XLogP2.46
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-4-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-methyl-1-propylpiperazine-2,5-dione 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 (3R)-4-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-methyl-1-propylpiperazine-2,5-dione?
The IUPAC name of (3R)-4-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-methyl-1-propylpiperazine-2,5-dione (CID 165423592) is (3R)-4-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-methyl-1-propylpiperazine-2,5-dione.
What is the SMILES notation for (3R)-4-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-methyl-1-propylpiperazine-2,5-dione?
The canonical SMILES for (3R)-4-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-methyl-1-propylpiperazine-2,5-dione is CCCN1CC(=O)N(Cc2cccc(-n3nc(C)cc3C)c2)[C@H](C)C1=O.
What is the InChIKey of (3R)-4-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-methyl-1-propylpiperazine-2,5-dione?
The InChIKey is IHGMFLRLODGFMY-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-5-9-22-13-19(25)23(16(4)20(22)26)12-17-7-6-8-18(11-17)24-15(3)10-14(2)21-24/h6-8,10-11,16H,5,9,12-13H2,1-4H3/t16-/m1/s1.
What are the key properties of (3R)-4-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-methyl-1-propylpiperazine-2,5-dione?
(3R)-4-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-methyl-1-propylpiperazine-2,5-dione has a molecular weight of 354.45 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-methyl-1-propylpiperazine-2,5-dione is sourced from PubChem (CID 165423592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).