ethyl 2-[[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]amino]-2-oxoacetate

C15H19N5O4 — CID 135753198

IUPACethyl 2-[[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]amino]-2-oxoacetate
SMILESCCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(=O)OCC)n1
InChIInChI=1S/C15H19N5O4/c1-4-6-10-8-12(21)18-15(16-10)20-11(7-9(3)19-20)17-13(22)14(23)24-5-2/h7-8H,4-6H2,1-3H3,(H,17,22)(H,16,18,21)
InChIKeyZXFWJPFKJGIBKM-UHFFFAOYSA-N
MW333.35 g/mol
LogP0.72
Rot. Bonds5

About ethyl 2-[[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]amino]-2-oxoacetate

ethyl 2-[[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]amino]-2-oxoacetate (PubChem CID 135753198) has the molecular formula C15H19N5O4 and a molecular weight of 333.35 g/mol. Its IUPAC name is ethyl 2-[[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]amino]-2-oxoacetate
PubChem CID135753198
Molecular FormulaC15H19N5O4
Molecular Weight333.35 g/mol
Exact Mass333.14
IUPAC Nameethyl 2-[[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]amino]-2-oxoacetate
SMILESCCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(=O)OCC)n1
InChIInChI=1S/C15H19N5O4/c1-4-6-10-8-12(21)18-15(16-10)20-11(7-9(3)19-20)17-13(22)14(23)24-5-2/h7-8H,4-6H2,1-3H3,(H,17,22)(H,16,18,21)
InChIKeyZXFWJPFKJGIBKM-UHFFFAOYSA-N
XLogP0.72
TPSA118.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethyl 2-[[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]amino]-2-oxoacetate 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 ethyl 2-[[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]amino]-2-oxoacetate (CID 135753198) is ethyl 2-[[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]amino]-2-oxoacetate is CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(=O)OCC)n1.
What is the InChIKey of ethyl 2-[[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]amino]-2-oxoacetate?
The InChIKey is ZXFWJPFKJGIBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O4/c1-4-6-10-8-12(21)18-15(16-10)20-11(7-9(3)19-20)17-13(22)14(23)24-5-2/h7-8H,4-6H2,1-3H3,(H,17,22)(H,16,18,21).
What are the key properties of ethyl 2-[[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]amino]-2-oxoacetate?
ethyl 2-[[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]amino]-2-oxoacetate has a molecular weight of 333.35 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]amino]-2-oxoacetate is sourced from PubChem (CID 135753198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).