1-[2-[2-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one

C22H27N5O4 — CID 110239748

IUPAC1-[2-[2-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one
SMILESNc1c(C(=O)C2CCN(C(=O)COCCN3CCCC3=O)C2)cnn1-c1ccccc1
InChIInChI=1S/C22H27N5O4/c23-22-18(13-24-27(22)17-5-2-1-3-6-17)21(30)16-8-10-26(14-16)20(29)15-31-12-11-25-9-4-7-19(25)28/h1-3,5-6,13,16H,4,7-12,14-15,23H2
InChIKeyUETJNHFKGMUIBG-UHFFFAOYSA-N
MW425.49 g/mol
LogP1.12
Rot. Bonds8

About 1-[2-[2-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one

1-[2-[2-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one (PubChem CID 110239748) has the molecular formula C22H27N5O4 and a molecular weight of 425.49 g/mol. Its IUPAC name is 1-[2-[2-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one
PubChem CID110239748
Molecular FormulaC22H27N5O4
Molecular Weight425.49 g/mol
Exact Mass425.21
IUPAC Name1-[2-[2-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one
SMILESNc1c(C(=O)C2CCN(C(=O)COCCN3CCCC3=O)C2)cnn1-c1ccccc1
InChIInChI=1S/C22H27N5O4/c23-22-18(13-24-27(22)17-5-2-1-3-6-17)21(30)16-8-10-26(14-16)20(29)15-31-12-11-25-9-4-7-19(25)28/h1-3,5-6,13,16H,4,7-12,14-15,23H2
InChIKeyUETJNHFKGMUIBG-UHFFFAOYSA-N
XLogP1.12
TPSA110.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(3R)-3-(5-amino-1-phenylpyrazole-4-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 92575852
1-[2-[2-[2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one
CID 110239856
1-[2-[2-[(2S)-2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one
CID 92570369
1-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one
CID 110239743
1-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-4-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 110239744
1-[4-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-4-oxobutyl]-4,6-dimethylpyrimidin-2-one
CID 110239747
5-[(3R)-3-(5-amino-1-phenylpyrazole-4-carbonyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 92566902
1-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one
CID 110239741
1-[(3R)-3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidin-1-yl]-2-methoxyethanone
CID 92610733
1-[(3S)-3-(5-amino-1-phenylpyrazole-4-carbonyl)piperidin-1-yl]-4-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 92603392
1-[2-[2-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one
CID 46955386
1-[4-[2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-4-oxobutyl]pyrrolidin-2-one
CID 110239849

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[2-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one (CID 110239748) is 1-[2-[2-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[2-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[2-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one is Nc1c(C(=O)C2CCN(C(=O)COCCN3CCCC3=O)C2)cnn1-c1ccccc1.
What is the InChIKey of 1-[2-[2-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one?
The InChIKey is UETJNHFKGMUIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O4/c23-22-18(13-24-27(22)17-5-2-1-3-6-17)21(30)16-8-10-26(14-16)20(29)15-31-12-11-25-9-4-7-19(25)28/h1-3,5-6,13,16H,4,7-12,14-15,23H2.
What are the key properties of 1-[2-[2-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one?
1-[2-[2-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one has a molecular weight of 425.49 g/mol, XLogP of 1.12, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 110239748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).