ethyl 1-[4-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]-5-methylpyrazole-4-carboxylate

C24H23FN4O4 — CID 43064330

IUPACethyl 1-[4-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]-5-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(NC(=O)C3CC(=O)N(c4ccccc4F)C3)cc2)c1C
InChIInChI=1S/C24H23FN4O4/c1-3-33-24(32)19-13-26-29(15(19)2)18-10-8-17(9-11-18)27-23(31)16-12-22(30)28(14-16)21-7-5-4-6-20(21)25/h4-11,13,16H,3,12,14H2,1-2H3,(H,27,31)
InChIKeyNHPUFPTVOFRQHR-UHFFFAOYSA-N
MW450.47 g/mol
LogP3.49
Rot. Bonds6

About ethyl 1-[4-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]-5-methylpyrazole-4-carboxylate

ethyl 1-[4-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]-5-methylpyrazole-4-carboxylate (PubChem CID 43064330) has the molecular formula C24H23FN4O4 and a molecular weight of 450.47 g/mol. Its IUPAC name is ethyl 1-[4-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]-5-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]-5-methylpyrazole-4-carboxylate
PubChem CID43064330
Molecular FormulaC24H23FN4O4
Molecular Weight450.47 g/mol
Exact Mass450.17
IUPAC Nameethyl 1-[4-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]-5-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(NC(=O)C3CC(=O)N(c4ccccc4F)C3)cc2)c1C
InChIInChI=1S/C24H23FN4O4/c1-3-33-24(32)19-13-26-29(15(19)2)18-10-8-17(9-11-18)27-23(31)16-12-22(30)28(14-16)21-7-5-4-6-20(21)25/h4-11,13,16H,3,12,14H2,1-2H3,(H,27,31)
InChIKeyNHPUFPTVOFRQHR-UHFFFAOYSA-N
XLogP3.49
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-(4-ethylsulfonylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30179761
ethyl 5-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxylate
CID 108738675
(3R)-N-(4-butylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2203536
ethyl 4-[[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 46422511
(3R)-1-(2-fluorophenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 8572964
1-(2-fluorophenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 580303
ethyl 5-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]-1-phenylpyrazole-4-carboxylate
CID 108761429
N-[4-(benzimidazol-1-yl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42883707
ethyl 3-(2-fluorophenyl)-5-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-oxothieno[3,4-d]pyridazine-1-carboxylate
CID 16818517
ethyl 2-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoate
CID 1251465
ethyl 3-(2-fluorophenyl)-5-[[1-(2-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-oxothieno[3,4-d]pyridazine-1-carboxylate
CID 16818515
ethyl 5-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556634

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]-5-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 1-[4-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]-5-methylpyrazole-4-carboxylate (CID 43064330) is ethyl 1-[4-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]-5-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[4-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]-5-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[4-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]-5-methylpyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccc(NC(=O)C3CC(=O)N(c4ccccc4F)C3)cc2)c1C.
What is the InChIKey of ethyl 1-[4-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]-5-methylpyrazole-4-carboxylate?
The InChIKey is NHPUFPTVOFRQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O4/c1-3-33-24(32)19-13-26-29(15(19)2)18-10-8-17(9-11-18)27-23(31)16-12-22(30)28(14-16)21-7-5-4-6-20(21)25/h4-11,13,16H,3,12,14H2,1-2H3,(H,27,31).
What are the key properties of ethyl 1-[4-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]-5-methylpyrazole-4-carboxylate?
ethyl 1-[4-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]-5-methylpyrazole-4-carboxylate has a molecular weight of 450.47 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]-5-methylpyrazole-4-carboxylate is sourced from PubChem (CID 43064330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).