ethyl 2-oxo-2-[[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]amino]acetate

C18H19N5O4S — CID 136605144

IUPACethyl 2-oxo-2-[[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]amino]acetate
SMILESCCCc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)C(=O)OCC)n1
InChIInChI=1S/C18H19N5O4S/c1-3-6-11-9-15(24)21-18(19-11)23-14(20-16(25)17(26)27-4-2)10-12(22-23)13-7-5-8-28-13/h5,7-10H,3-4,6H2,1-2H3,(H,20,25)(H,19,21,24)
InChIKeyLMZKPNKEDJTXIQ-UHFFFAOYSA-N
MW401.45 g/mol
LogP2.14
Rot. Bonds6

About ethyl 2-oxo-2-[[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]amino]acetate

ethyl 2-oxo-2-[[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]amino]acetate (PubChem CID 136605144) has the molecular formula C18H19N5O4S and a molecular weight of 401.45 g/mol. Its IUPAC name is ethyl 2-oxo-2-[[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-[[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]amino]acetate
PubChem CID136605144
Molecular FormulaC18H19N5O4S
Molecular Weight401.45 g/mol
Exact Mass401.12
IUPAC Nameethyl 2-oxo-2-[[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]amino]acetate
SMILESCCCc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)C(=O)OCC)n1
InChIInChI=1S/C18H19N5O4S/c1-3-6-11-9-15(24)21-18(19-11)23-14(20-16(25)17(26)27-4-2)10-12(22-23)13-7-5-8-28-13/h5,7-10H,3-4,6H2,1-2H3,(H,20,25)(H,19,21,24)
InChIKeyLMZKPNKEDJTXIQ-UHFFFAOYSA-N
XLogP2.14
TPSA118.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze ethyl 2-oxo-2-[[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]amino]acetate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-[[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]amino]-2-oxoacetate
CID 135753198
2-chloro-N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]propanamide
CID 136605017
3,4-dimethyl-N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
CID 136605024
3-bromo-N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
CID 136605047
N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-3,3-diphenylpropanamide
CID 136605106
5-bromo-2-chloro-N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
CID 136605055
3-cyclohexyl-N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]propanamide
CID 136605009
N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-(4-methylphenoxy)acetamide
CID 136604932
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]butanamide
CID 136604738
N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 136604928
4-tert-butyl-N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
CID 136604869
N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-3,3-diphenylpropanamide
CID 136604951

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-[[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]amino]acetate?
The IUPAC name of ethyl 2-oxo-2-[[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]amino]acetate (CID 136605144) is ethyl 2-oxo-2-[[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]amino]acetate.
What is the SMILES notation for ethyl 2-oxo-2-[[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]amino]acetate?
The canonical SMILES for ethyl 2-oxo-2-[[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]amino]acetate is CCCc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)C(=O)OCC)n1.
What is the InChIKey of ethyl 2-oxo-2-[[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]amino]acetate?
The InChIKey is LMZKPNKEDJTXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4S/c1-3-6-11-9-15(24)21-18(19-11)23-14(20-16(25)17(26)27-4-2)10-12(22-23)13-7-5-8-28-13/h5,7-10H,3-4,6H2,1-2H3,(H,20,25)(H,19,21,24).
What are the key properties of ethyl 2-oxo-2-[[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]amino]acetate?
ethyl 2-oxo-2-[[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]amino]acetate has a molecular weight of 401.45 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-[[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]amino]acetate is sourced from PubChem (CID 136605144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).