ethyl 2-[[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]amino]-2-oxoacetate

C15H17N5O4 — CID 78715844

IUPACethyl 2-[[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1cc(C)nn1C1=NC(=O)C2CCCC2=N1
InChIInChI=1S/C15H17N5O4/c1-3-24-14(23)13(22)17-11-7-8(2)19-20(11)15-16-10-6-4-5-9(10)12(21)18-15/h7,9H,3-6H2,1-2H3,(H,17,22)
InChIKeyQLMFAGMNCOSOBL-UHFFFAOYSA-N
MW331.33 g/mol
LogP0.68
Rot. Bonds2

About ethyl 2-[[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]amino]-2-oxoacetate

ethyl 2-[[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]amino]-2-oxoacetate (PubChem CID 78715844) has the molecular formula C15H17N5O4 and a molecular weight of 331.33 g/mol. Its IUPAC name is ethyl 2-[[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]amino]-2-oxoacetate
PubChem CID78715844
Molecular FormulaC15H17N5O4
Molecular Weight331.33 g/mol
Exact Mass331.13
IUPAC Nameethyl 2-[[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1cc(C)nn1C1=NC(=O)C2CCCC2=N1
InChIInChI=1S/C15H17N5O4/c1-3-24-14(23)13(22)17-11-7-8(2)19-20(11)15-16-10-6-4-5-9(10)12(21)18-15/h7,9H,3-6H2,1-2H3,(H,17,22)
InChIKeyQLMFAGMNCOSOBL-UHFFFAOYSA-N
XLogP0.68
TPSA115.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethyl 2-[[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]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

Related Compounds

N-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]pentanamide
CID 78715775
N-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
CID 73339975
N'-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-N-(3-phenylpropyl)oxamide
CID 73340006
N-[(4-methoxyphenyl)methyl]-N'-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]oxamide
CID 73339996
N'-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-N-(oxolan-2-ylmethyl)oxamide
CID 73339991
1-cyclohexyl-3-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazol-3-yl]urea
CID 74925017
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-2-oxoacetamide
CID 73339977
N-[3-cyclopropyl-1-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-(4-ethoxyphenoxy)acetamide
CID 74801947
N-[1-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide
CID 74783866
5-cyclopropyl-N-[3-cyclopropyl-1-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole-3-carboxamide
CID 74801969
N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazol-5-yl]-2-(4-methoxyphenyl)acetamide
CID 74802004
N-[3-cyclopropyl-1-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-phenoxypropanamide
CID 74801943

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]amino]-2-oxoacetate (CID 78715844) is ethyl 2-[[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]amino]-2-oxoacetate is CCOC(=O)C(=O)Nc1cc(C)nn1C1=NC(=O)C2CCCC2=N1.
What is the InChIKey of ethyl 2-[[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]amino]-2-oxoacetate?
The InChIKey is QLMFAGMNCOSOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O4/c1-3-24-14(23)13(22)17-11-7-8(2)19-20(11)15-16-10-6-4-5-9(10)12(21)18-15/h7,9H,3-6H2,1-2H3,(H,17,22).
What are the key properties of ethyl 2-[[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]amino]-2-oxoacetate?
ethyl 2-[[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]amino]-2-oxoacetate has a molecular weight of 331.33 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]amino]-2-oxoacetate is sourced from PubChem (CID 78715844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).