ethyl 5-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]-1-phenylpyrazole-4-carboxylate

C20H24N4O4 — CID 108761429

IUPACethyl 5-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)C1CC(=O)N(C(C)C)C1
InChIInChI=1S/C20H24N4O4/c1-4-28-20(27)16-11-21-24(15-8-6-5-7-9-15)18(16)22-19(26)14-10-17(25)23(12-14)13(2)3/h5-9,11,13-14H,4,10,12H2,1-3H3,(H,22,26)
InChIKeyGHUFTDDPJIZXBI-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.24
Rot. Bonds6

About ethyl 5-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]-1-phenylpyrazole-4-carboxylate

ethyl 5-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]-1-phenylpyrazole-4-carboxylate (PubChem CID 108761429) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is ethyl 5-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]-1-phenylpyrazole-4-carboxylate
PubChem CID108761429
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Nameethyl 5-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)C1CC(=O)N(C(C)C)C1
InChIInChI=1S/C20H24N4O4/c1-4-28-20(27)16-11-21-24(15-8-6-5-7-9-15)18(16)22-19(26)14-10-17(25)23(12-14)13(2)3/h5-9,11,13-14H,4,10,12H2,1-3H3,(H,22,26)
InChIKeyGHUFTDDPJIZXBI-UHFFFAOYSA-N
XLogP2.24
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxylate
CID 108738675
ethyl 5-(3-methylbutanoylamino)-1-phenylpyrazole-4-carboxylate
CID 4622223
ethyl 5-(butanoylamino)-1-phenylpyrazole-4-carboxylate
CID 5054602
ethyl 5-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-1-quinolin-2-ylpyrazole-4-carboxylate
CID 108769140
ethyl 5-[[2-(1-adamantyl)acetyl]amino]-1-phenylpyrazole-4-carboxylate
CID 108761389
N,N-diethyl-5-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxamide
CID 108746115
ethyl 5-[(3-chloro-2,2-dimethylpropanoyl)amino]-1-phenylpyrazole-4-carboxylate
CID 108761383
ethyl 5-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-1-phenylpyrazole-4-carboxylate
CID 55437084
ethyl 5-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-1-methylpyrazole-4-carboxylate
CID 108761568
ethyl 1-phenyl-5-[2-(4-propan-2-ylphenoxy)propanoylamino]pyrazole-4-carboxylate
CID 108761447
ethyl 2-[[(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 9365051
ethyl 2-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoate
CID 1251465

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]-1-phenylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]-1-phenylpyrazole-4-carboxylate (CID 108761429) is ethyl 5-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]-1-phenylpyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)C1CC(=O)N(C(C)C)C1.
What is the InChIKey of ethyl 5-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]-1-phenylpyrazole-4-carboxylate?
The InChIKey is GHUFTDDPJIZXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-4-28-20(27)16-11-21-24(15-8-6-5-7-9-15)18(16)22-19(26)14-10-17(25)23(12-14)13(2)3/h5-9,11,13-14H,4,10,12H2,1-3H3,(H,22,26).
What are the key properties of ethyl 5-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]-1-phenylpyrazole-4-carboxylate?
ethyl 5-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]-1-phenylpyrazole-4-carboxylate has a molecular weight of 384.44 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 108761429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).