ethyl 2-[[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]amino]-2-oxoacetate

C17H17N5O5 — CID 136615040

IUPACethyl 2-[[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1cc(-c2ccco2)nn1-c1nc(C)c(C)c(=O)[nH]1
InChIInChI=1S/C17H17N5O5/c1-4-26-16(25)15(24)19-13-8-11(12-6-5-7-27-12)21-22(13)17-18-10(3)9(2)14(23)20-17/h5-8H,4H2,1-3H3,(H,19,24)(H,18,20,23)
InChIKeySRKQRMNWUMUGQE-UHFFFAOYSA-N
MW371.35 g/mol
LogP1.33
Rot. Bonds4

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

ethyl 2-[[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]amino]-2-oxoacetate (PubChem CID 136615040) has the molecular formula C17H17N5O5 and a molecular weight of 371.35 g/mol. Its IUPAC name is ethyl 2-[[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]amino]-2-oxoacetate
PubChem CID136615040
Molecular FormulaC17H17N5O5
Molecular Weight371.35 g/mol
Exact Mass371.12
IUPAC Nameethyl 2-[[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1cc(-c2ccco2)nn1-c1nc(C)c(C)c(=O)[nH]1
InChIInChI=1S/C17H17N5O5/c1-4-26-16(25)15(24)19-13-8-11(12-6-5-7-27-12)21-22(13)17-18-10(3)9(2)14(23)20-17/h5-8H,4H2,1-3H3,(H,19,24)(H,18,20,23)
InChIKeySRKQRMNWUMUGQE-UHFFFAOYSA-N
XLogP1.33
TPSA132.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze ethyl 2-[[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]amino]-2-oxoacetate with MolForge

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Related Compounds

N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]furan-2-carboxamide
CID 135955427
ethyl N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]carbamate
CID 136615188
N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-iodobenzamide
CID 136614970
2-cyclopentyl-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]acetamide
CID 136614933
(Z)-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-3-phenylprop-2-enamide
CID 135955414
N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-methylpropanamide
CID 136615045
N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 136615025
N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2,6-difluorobenzamide
CID 136615097
N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-4-(trifluoromethyl)benzamide
CID 136615114
2-cyclopentyl-N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]acetamide
CID 136615054
N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 136615168
N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 136615165

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]amino]-2-oxoacetate (CID 136615040) is ethyl 2-[[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]amino]-2-oxoacetate is CCOC(=O)C(=O)Nc1cc(-c2ccco2)nn1-c1nc(C)c(C)c(=O)[nH]1.
What is the InChIKey of ethyl 2-[[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]amino]-2-oxoacetate?
The InChIKey is SRKQRMNWUMUGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O5/c1-4-26-16(25)15(24)19-13-8-11(12-6-5-7-27-12)21-22(13)17-18-10(3)9(2)14(23)20-17/h5-8H,4H2,1-3H3,(H,19,24)(H,18,20,23).
What are the key properties of ethyl 2-[[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]amino]-2-oxoacetate?
ethyl 2-[[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]amino]-2-oxoacetate has a molecular weight of 371.35 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]amino]-2-oxoacetate is sourced from PubChem (CID 136615040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).