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

C19H21ClN4O5 — CID 108761570

IUPACethyl 5-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1NC(=O)C1CC(=O)N(c2cc(Cl)ccc2OC)C1
InChIInChI=1S/C19H21ClN4O5/c1-4-29-19(27)13-9-21-23(2)17(13)22-18(26)11-7-16(25)24(10-11)14-8-12(20)5-6-15(14)28-3/h5-6,8-9,11H,4,7,10H2,1-3H3,(H,22,26)
InChIKeyWRNBACFJNVUILM-UHFFFAOYSA-N
MW420.85 g/mol
LogP2.25
Rot. Bonds6

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

ethyl 5-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-methylpyrazole-4-carboxylate (PubChem CID 108761570) has the molecular formula C19H21ClN4O5 and a molecular weight of 420.85 g/mol. Its IUPAC name is ethyl 5-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-methylpyrazole-4-carboxylate
PubChem CID108761570
Molecular FormulaC19H21ClN4O5
Molecular Weight420.85 g/mol
Exact Mass420.12
IUPAC Nameethyl 5-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1NC(=O)C1CC(=O)N(c2cc(Cl)ccc2OC)C1
InChIInChI=1S/C19H21ClN4O5/c1-4-29-19(27)13-9-21-23(2)17(13)22-18(26)11-7-16(25)24(10-11)14-8-12(20)5-6-15(14)28-3/h5-6,8-9,11H,4,7,10H2,1-3H3,(H,22,26)
InChIKeyWRNBACFJNVUILM-UHFFFAOYSA-N
XLogP2.25
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.85
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 5-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-methylpyrazole-4-carboxylate with MolForge

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Related Compounds

(3R)-1-(5-chloro-2-methoxyphenyl)-N-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004503
ethyl 5-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-1-methylpyrazole-4-carboxylate
CID 108761568
(3R)-1-(5-chloro-2-methoxyphenyl)-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502369
ethyl 5-[[1-(4-butylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-methylpyrazole-4-carboxylate
CID 108761566
N-(3-amino-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119419417
ethyl 2-[[(3S)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 9395534
(3R)-N-(5-chloro-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 41025414
(3S)-1-(5-chloro-2-methoxyphenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8714268
(3R)-1-(5-chloro-2-methoxyphenyl)-N-[2-(ethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 9489350
(3R)-N-(4-chloro-2-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8780130
1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide
CID 55483902
1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyrrolidine-3-carboxamide
CID 55331707

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-methylpyrazole-4-carboxylate (CID 108761570) is ethyl 5-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-methylpyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1NC(=O)C1CC(=O)N(c2cc(Cl)ccc2OC)C1.
What is the InChIKey of ethyl 5-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-methylpyrazole-4-carboxylate?
The InChIKey is WRNBACFJNVUILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O5/c1-4-29-19(27)13-9-21-23(2)17(13)22-18(26)11-7-16(25)24(10-11)14-8-12(20)5-6-15(14)28-3/h5-6,8-9,11H,4,7,10H2,1-3H3,(H,22,26).
What are the key properties of ethyl 5-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-methylpyrazole-4-carboxylate?
ethyl 5-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-methylpyrazole-4-carboxylate has a molecular weight of 420.85 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 108761570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).