1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]piperazine-2,5-dione

C14H15N5O2 — CID 117459419

IUPAC1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]piperazine-2,5-dione
SMILESCn1nc(-c2ccccc2N2CC(=O)NCC2=O)cc1N
InChIInChI=1S/C14H15N5O2/c1-18-12(15)6-10(17-18)9-4-2-3-5-11(9)19-8-13(20)16-7-14(19)21/h2-6H,7-8,15H2,1H3,(H,16,20)
InChIKeyTXUKTVPJNUXEPU-UHFFFAOYSA-N
MW285.31 g/mol
LogP0.13
Rot. Bonds2

About 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]piperazine-2,5-dione

1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]piperazine-2,5-dione (PubChem CID 117459419) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]piperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]piperazine-2,5-dione
PubChem CID117459419
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]piperazine-2,5-dione
SMILESCn1nc(-c2ccccc2N2CC(=O)NCC2=O)cc1N
InChIInChI=1S/C14H15N5O2/c1-18-12(15)6-10(17-18)9-4-2-3-5-11(9)19-8-13(20)16-7-14(19)21/h2-6H,7-8,15H2,1H3,(H,16,20)
InChIKeyTXUKTVPJNUXEPU-UHFFFAOYSA-N
XLogP0.13
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
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 ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]piperazine-2,5-dione?
The IUPAC name of 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]piperazine-2,5-dione (CID 117459419) is 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]piperazine-2,5-dione.
What is the SMILES notation for 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]piperazine-2,5-dione?
The canonical SMILES for 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]piperazine-2,5-dione is Cn1nc(-c2ccccc2N2CC(=O)NCC2=O)cc1N.
What is the InChIKey of 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]piperazine-2,5-dione?
The InChIKey is TXUKTVPJNUXEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-18-12(15)6-10(17-18)9-4-2-3-5-11(9)19-8-13(20)16-7-14(19)21/h2-6H,7-8,15H2,1H3,(H,16,20).
What are the key properties of 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]piperazine-2,5-dione?
1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]piperazine-2,5-dione has a molecular weight of 285.31 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]piperazine-2,5-dione is sourced from PubChem (CID 117459419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).