N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N'-(2,4-dioxo-1H-pyrimidin-5-yl)oxamide

C13H16N6O4 — CID 42535377

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N'-(2,4-dioxo-1H-pyrimidin-5-yl)oxamide
SMILESCc1cc(C)n(CCNC(=O)C(=O)Nc2c[nH]c(=O)[nH]c2=O)n1
InChIInChI=1S/C13H16N6O4/c1-7-5-8(2)19(18-7)4-3-14-11(21)12(22)16-9-6-15-13(23)17-10(9)20/h5-6H,3-4H2,1-2H3,(H,14,21)(H,16,22)(H2,15,17,20,23)
InChIKeyUUGDSYJDBWERJQ-UHFFFAOYSA-N
MW320.31 g/mol
LogP-1.37
Rot. Bonds4

About N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N'-(2,4-dioxo-1H-pyrimidin-5-yl)oxamide

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N'-(2,4-dioxo-1H-pyrimidin-5-yl)oxamide (PubChem CID 42535377) has the molecular formula C13H16N6O4 and a molecular weight of 320.31 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N'-(2,4-dioxo-1H-pyrimidin-5-yl)oxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N'-(2,4-dioxo-1H-pyrimidin-5-yl)oxamide
PubChem CID42535377
Molecular FormulaC13H16N6O4
Molecular Weight320.31 g/mol
Exact Mass320.12
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N'-(2,4-dioxo-1H-pyrimidin-5-yl)oxamide
SMILESCc1cc(C)n(CCNC(=O)C(=O)Nc2c[nH]c(=O)[nH]c2=O)n1
InChIInChI=1S/C13H16N6O4/c1-7-5-8(2)19(18-7)4-3-14-11(21)12(22)16-9-6-15-13(23)17-10(9)20/h5-6H,3-4H2,1-2H3,(H,14,21)(H,16,22)(H2,15,17,20,23)
InChIKeyUUGDSYJDBWERJQ-UHFFFAOYSA-N
XLogP-1.37
TPSA141.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 5-1.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N'-(2,4-dioxo-1H-pyrimidin-5-yl)oxamide 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 N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N'-(2,4-dioxo-1H-pyrimidin-5-yl)oxamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N'-(2,4-dioxo-1H-pyrimidin-5-yl)oxamide (CID 42535377) is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N'-(2,4-dioxo-1H-pyrimidin-5-yl)oxamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N'-(2,4-dioxo-1H-pyrimidin-5-yl)oxamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N'-(2,4-dioxo-1H-pyrimidin-5-yl)oxamide is Cc1cc(C)n(CCNC(=O)C(=O)Nc2c[nH]c(=O)[nH]c2=O)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N'-(2,4-dioxo-1H-pyrimidin-5-yl)oxamide?
The InChIKey is UUGDSYJDBWERJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O4/c1-7-5-8(2)19(18-7)4-3-14-11(21)12(22)16-9-6-15-13(23)17-10(9)20/h5-6H,3-4H2,1-2H3,(H,14,21)(H,16,22)(H2,15,17,20,23).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N'-(2,4-dioxo-1H-pyrimidin-5-yl)oxamide?
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N'-(2,4-dioxo-1H-pyrimidin-5-yl)oxamide has a molecular weight of 320.31 g/mol, XLogP of -1.37, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N'-(2,4-dioxo-1H-pyrimidin-5-yl)oxamide is sourced from PubChem (CID 42535377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).