ethyl 5-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-1-methylpyrazole-4-carboxylate

C16H24N4O4 — CID 108761568

IUPACethyl 5-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1NC(=O)C1CC(=O)N(C(C)(C)C)C1
InChIInChI=1S/C16H24N4O4/c1-6-24-15(23)11-8-17-19(5)13(11)18-14(22)10-7-12(21)20(9-10)16(2,3)4/h8,10H,6-7,9H2,1-5H3,(H,18,22)
InChIKeyGWSNRSMNXFSDLG-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.18
Rot. Bonds4

About ethyl 5-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-1-methylpyrazole-4-carboxylate

ethyl 5-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-1-methylpyrazole-4-carboxylate (PubChem CID 108761568) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is ethyl 5-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-1-methylpyrazole-4-carboxylate
PubChem CID108761568
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Nameethyl 5-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1NC(=O)C1CC(=O)N(C(C)(C)C)C1
InChIInChI=1S/C16H24N4O4/c1-6-24-15(23)11-8-17-19(5)13(11)18-14(22)10-7-12(21)20(9-10)16(2,3)4/h8,10H,6-7,9H2,1-5H3,(H,18,22)
InChIKeyGWSNRSMNXFSDLG-UHFFFAOYSA-N
XLogP1.18
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-1-quinolin-2-ylpyrazole-4-carboxylate
CID 108769140
ethyl 5-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-1-(4,8-dimethylquinolin-2-yl)pyrazole-4-carboxylate
CID 108769179
ethyl 5-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-methylpyrazole-4-carboxylate
CID 108761570
ethyl 5-[[1-(4-butylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-methylpyrazole-4-carboxylate
CID 108761566
ethyl 4-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate
CID 6471772
ethyl 5-(2,2-dimethylpropanoylamino)-1-methylpyrazole-4-carboxylate
CID 110460718
ethyl 2-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-4-carboxylate
CID 108755534
diethyl 2-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-5-methylfuran-3,4-dicarboxylate
CID 108762179
ethyl 5-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]-1-phenylpyrazole-4-carboxylate
CID 108761429
ethyl 5-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-1-methylpyrazole-4-carboxylate
CID 19475977
ethyl 5-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxylate
CID 108738675
ethyl 5-[(2-cyanoacetyl)amino]-1-methylpyrazole-4-carboxylate
CID 110459593

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-1-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-1-methylpyrazole-4-carboxylate (CID 108761568) is ethyl 5-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-1-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-1-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-1-methylpyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1NC(=O)C1CC(=O)N(C(C)(C)C)C1.
What is the InChIKey of ethyl 5-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-1-methylpyrazole-4-carboxylate?
The InChIKey is GWSNRSMNXFSDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-6-24-15(23)11-8-17-19(5)13(11)18-14(22)10-7-12(21)20(9-10)16(2,3)4/h8,10H,6-7,9H2,1-5H3,(H,18,22).
What are the key properties of ethyl 5-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-1-methylpyrazole-4-carboxylate?
ethyl 5-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-1-methylpyrazole-4-carboxylate has a molecular weight of 336.39 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 108761568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).