ethyl 1-methyl-5-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pyrazole-4-carboxylate

C16H16N4O4 — CID 108797921

IUPACethyl 1-methyl-5-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1NC(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C16H16N4O4/c1-3-24-16(23)11-8-17-20(2)14(11)19-15(22)9-4-5-12-10(6-9)7-13(21)18-12/h4-6,8H,3,7H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyOEUOTQGSDUPUNB-UHFFFAOYSA-N
MW328.33 g/mol
LogP1.34
Rot. Bonds4

About ethyl 1-methyl-5-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pyrazole-4-carboxylate

ethyl 1-methyl-5-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pyrazole-4-carboxylate (PubChem CID 108797921) has the molecular formula C16H16N4O4 and a molecular weight of 328.33 g/mol. Its IUPAC name is ethyl 1-methyl-5-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-5-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pyrazole-4-carboxylate
PubChem CID108797921
Molecular FormulaC16H16N4O4
Molecular Weight328.33 g/mol
Exact Mass328.12
IUPAC Nameethyl 1-methyl-5-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1NC(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C16H16N4O4/c1-3-24-16(23)11-8-17-20(2)14(11)19-15(22)9-4-5-12-10(6-9)7-13(21)18-12/h4-6,8H,3,7H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyOEUOTQGSDUPUNB-UHFFFAOYSA-N
XLogP1.34
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(4,8-dimethylquinolin-2-yl)-5-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pyrazole-4-carboxylate
CID 108798001
ethyl 5-[(3,4-dichlorobenzoyl)amino]-1-methylpyrazole-4-carboxylate
CID 108761476
ethyl 5-[(3-cyanobenzoyl)amino]-1-methylpyrazole-4-carboxylate
CID 108738870
N-(5-amino-2-pyridinyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 115273678
ethyl 5-[(2-amino-4-methoxybenzoyl)amino]-1-methylpyrazole-4-carboxylate
CID 110451725
ethyl 5-[[2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoindole-5-carbonyl]amino]-1-methylpyrazole-4-carboxylate
CID 108761504
ethyl 5-(3-methoxypropanoylamino)-1-methylpyrazole-4-carboxylate
CID 110480553
N-(3,5-dimethylphenyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 110700387
ethyl 5-[(4,5-dibromo-1H-pyrazole-3-carbonyl)amino]-1-methylpyrazole-4-carboxylate
CID 19508632
ethyl 5-[(1,3-dimethylpyrazole-4-carbonyl)amino]-1-methylpyrazole-4-carboxylate
CID 19474982
ethyl 5-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-1-methylpyrazole-4-carboxylate
CID 19475977
ethyl 5-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-1-methylpyrazole-4-carboxylate
CID 19440794

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-5-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-methyl-5-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pyrazole-4-carboxylate (CID 108797921) is ethyl 1-methyl-5-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-methyl-5-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-methyl-5-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1NC(=O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of ethyl 1-methyl-5-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pyrazole-4-carboxylate?
The InChIKey is OEUOTQGSDUPUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4/c1-3-24-16(23)11-8-17-20(2)14(11)19-15(22)9-4-5-12-10(6-9)7-13(21)18-12/h4-6,8H,3,7H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of ethyl 1-methyl-5-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pyrazole-4-carboxylate?
ethyl 1-methyl-5-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pyrazole-4-carboxylate has a molecular weight of 328.33 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-5-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pyrazole-4-carboxylate is sourced from PubChem (CID 108797921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).