4-[2-(5-amino-1-methylpyrazol-4-yl)phenyl]piperazine-2,6-dione

C14H15N5O2 — CID 117459410

IUPAC4-[2-(5-amino-1-methylpyrazol-4-yl)phenyl]piperazine-2,6-dione
SMILESCn1ncc(-c2ccccc2N2CC(=O)NC(=O)C2)c1N
InChIInChI=1S/C14H15N5O2/c1-18-14(15)10(6-16-18)9-4-2-3-5-11(9)19-7-12(20)17-13(21)8-19/h2-6H,7-8,15H2,1H3,(H,17,20,21)
InChIKeyCCMPRNLUZSFRKQ-UHFFFAOYSA-N
MW285.31 g/mol
LogP0.13
Rot. Bonds2

About 4-[2-(5-amino-1-methylpyrazol-4-yl)phenyl]piperazine-2,6-dione

4-[2-(5-amino-1-methylpyrazol-4-yl)phenyl]piperazine-2,6-dione (PubChem CID 117459410) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 4-[2-(5-amino-1-methylpyrazol-4-yl)phenyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-(5-amino-1-methylpyrazol-4-yl)phenyl]piperazine-2,6-dione
PubChem CID117459410
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name4-[2-(5-amino-1-methylpyrazol-4-yl)phenyl]piperazine-2,6-dione
SMILESCn1ncc(-c2ccccc2N2CC(=O)NC(=O)C2)c1N
InChIInChI=1S/C14H15N5O2/c1-18-14(15)10(6-16-18)9-4-2-3-5-11(9)19-7-12(20)17-13(21)8-19/h2-6H,7-8,15H2,1H3,(H,17,20,21)
InChIKeyCCMPRNLUZSFRKQ-UHFFFAOYSA-N
XLogP0.13
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-amino-1-methylpyrazol-4-yl)phenyl]piperazine-2,6-dione?
The IUPAC name of 4-[2-(5-amino-1-methylpyrazol-4-yl)phenyl]piperazine-2,6-dione (CID 117459410) is 4-[2-(5-amino-1-methylpyrazol-4-yl)phenyl]piperazine-2,6-dione.
What is the SMILES notation for 4-[2-(5-amino-1-methylpyrazol-4-yl)phenyl]piperazine-2,6-dione?
The canonical SMILES for 4-[2-(5-amino-1-methylpyrazol-4-yl)phenyl]piperazine-2,6-dione is Cn1ncc(-c2ccccc2N2CC(=O)NC(=O)C2)c1N.
What is the InChIKey of 4-[2-(5-amino-1-methylpyrazol-4-yl)phenyl]piperazine-2,6-dione?
The InChIKey is CCMPRNLUZSFRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-18-14(15)10(6-16-18)9-4-2-3-5-11(9)19-7-12(20)17-13(21)8-19/h2-6H,7-8,15H2,1H3,(H,17,20,21).
What are the key properties of 4-[2-(5-amino-1-methylpyrazol-4-yl)phenyl]piperazine-2,6-dione?
4-[2-(5-amino-1-methylpyrazol-4-yl)phenyl]piperazine-2,6-dione has a molecular weight of 285.31 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-amino-1-methylpyrazol-4-yl)phenyl]piperazine-2,6-dione is sourced from PubChem (CID 117459410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).