ethyl 5-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxylate

C24H24N4O5 — CID 108738675

IUPACethyl 5-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)C1CC(=O)N(c2ccc(OC)cc2)C1
InChIInChI=1S/C24H24N4O5/c1-3-33-24(31)20-14-25-28(18-7-5-4-6-8-18)22(20)26-23(30)16-13-21(29)27(15-16)17-9-11-19(32-2)12-10-17/h4-12,14,16H,3,13,15H2,1-2H3,(H,26,30)
InChIKeyGOQLVURSRBLPDH-UHFFFAOYSA-N
MW448.48 g/mol
LogP3.05
Rot. Bonds7

About ethyl 5-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxylate

ethyl 5-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxylate (PubChem CID 108738675) has the molecular formula C24H24N4O5 and a molecular weight of 448.48 g/mol. Its IUPAC name is ethyl 5-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxylate
PubChem CID108738675
Molecular FormulaC24H24N4O5
Molecular Weight448.48 g/mol
Exact Mass448.17
IUPAC Nameethyl 5-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)C1CC(=O)N(c2ccc(OC)cc2)C1
InChIInChI=1S/C24H24N4O5/c1-3-33-24(31)20-14-25-28(18-7-5-4-6-8-18)22(20)26-23(30)16-13-21(29)27(15-16)17-9-11-19(32-2)12-10-17/h4-12,14,16H,3,13,15H2,1-2H3,(H,26,30)
InChIKeyGOQLVURSRBLPDH-UHFFFAOYSA-N
XLogP3.05
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]-1-phenylpyrazole-4-carboxylate
CID 108761429
N,N-diethyl-5-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxamide
CID 108746115
ethyl 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 6493237
ethyl 2-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoate
CID 1251465
ethyl 5-[[1-(4-butylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-methylpyrazole-4-carboxylate
CID 108761566
N,N-diethyl-5-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxamide
CID 108801275
ethyl 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 17309359
ethyl 1-[4-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]-5-methylpyrazole-4-carboxylate
CID 43064330
ethyl 5-[(4-methoxyphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate
CID 5065328
ethyl 5-[[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]-1-phenylpyrazole-4-carboxylate
CID 55446785
(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
(3S)-1-(4-methoxyphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 40666345

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxylate (CID 108738675) is ethyl 5-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)C1CC(=O)N(c2ccc(OC)cc2)C1.
What is the InChIKey of ethyl 5-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxylate?
The InChIKey is GOQLVURSRBLPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5/c1-3-33-24(31)20-14-25-28(18-7-5-4-6-8-18)22(20)26-23(30)16-13-21(29)27(15-16)17-9-11-19(32-2)12-10-17/h4-12,14,16H,3,13,15H2,1-2H3,(H,26,30).
What are the key properties of ethyl 5-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxylate?
ethyl 5-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxylate has a molecular weight of 448.48 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 108738675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).