N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide

C22H23N5O4 — CID 122266273

IUPACN-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC(c2ccco2)n2cccn2)cc1N1CCCC1=O
InChIInChI=1S/C22H23N5O4/c1-15-7-8-16(13-17(15)26-10-2-6-20(26)28)25-22(30)21(29)23-14-18(19-5-3-12-31-19)27-11-4-9-24-27/h3-5,7-9,11-13,18H,2,6,10,14H2,1H3,(H,23,29)(H,25,30)
InChIKeyKUGHUZYLNAUOPD-UHFFFAOYSA-N
MW421.46 g/mol
LogP2.26
Rot. Bonds6

About N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide

N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide (PubChem CID 122266273) has the molecular formula C22H23N5O4 and a molecular weight of 421.46 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
PubChem CID122266273
Molecular FormulaC22H23N5O4
Molecular Weight421.46 g/mol
Exact Mass421.18
IUPAC NameN-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC(c2ccco2)n2cccn2)cc1N1CCCC1=O
InChIInChI=1S/C22H23N5O4/c1-15-7-8-16(13-17(15)26-10-2-6-20(26)28)25-22(30)21(29)23-14-18(19-5-3-12-31-19)27-11-4-9-24-27/h3-5,7-9,11-13,18H,2,6,10,14H2,1H3,(H,23,29)(H,25,30)
InChIKeyKUGHUZYLNAUOPD-UHFFFAOYSA-N
XLogP2.26
TPSA109.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-N'-(4-methylphenyl)oxamide
CID 122266215
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 122266237
N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carboxamide
CID 7686997
N-(furan-2-ylmethyl)-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584405
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 90534935
N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 121132968
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 121180370
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 90535296
N-[(2-chlorophenyl)methyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584450
N-(3,4-dimethylphenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 30680052
N-(3-fluorophenyl)-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679517
N-(furan-2-ylmethyl)-N'-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxamide
CID 122266212

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide (CID 122266273) is N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide is Cc1ccc(NC(=O)C(=O)NCC(c2ccco2)n2cccn2)cc1N1CCCC1=O.
What is the InChIKey of N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
The InChIKey is KUGHUZYLNAUOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4/c1-15-7-8-16(13-17(15)26-10-2-6-20(26)28)25-22(30)21(29)23-14-18(19-5-3-12-31-19)27-11-4-9-24-27/h3-5,7-9,11-13,18H,2,6,10,14H2,1H3,(H,23,29)(H,25,30).
What are the key properties of N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide has a molecular weight of 421.46 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide is sourced from PubChem (CID 122266273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).