1-(4-chlorophenyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide

C21H19ClN4O3 — CID 56552765

IUPAC1-(4-chlorophenyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1-c1cc(NC(=O)C2CCN(c3ccc(Cl)cc3)C2=O)n[nH]1
InChIInChI=1S/C21H19ClN4O3/c1-29-18-5-3-2-4-15(18)17-12-19(25-24-17)23-20(27)16-10-11-26(21(16)28)14-8-6-13(22)7-9-14/h2-9,12,16H,10-11H2,1H3,(H2,23,24,25,27)
InChIKeyDOFNNIXVENWCEW-UHFFFAOYSA-N
MW410.86 g/mol
LogP3.73
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide

1-(4-chlorophenyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide (PubChem CID 56552765) has the molecular formula C21H19ClN4O3 and a molecular weight of 410.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide
PubChem CID56552765
Molecular FormulaC21H19ClN4O3
Molecular Weight410.86 g/mol
Exact Mass410.11
IUPAC Name1-(4-chlorophenyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1-c1cc(NC(=O)C2CCN(c3ccc(Cl)cc3)C2=O)n[nH]1
InChIInChI=1S/C21H19ClN4O3/c1-29-18-5-3-2-4-15(18)17-12-19(25-24-17)23-20(27)16-10-11-26(21(16)28)14-8-6-13(22)7-9-14/h2-9,12,16H,10-11H2,1H3,(H2,23,24,25,27)
InChIKeyDOFNNIXVENWCEW-UHFFFAOYSA-N
XLogP3.73
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.86
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide
CID 56555835
(3S)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 52513893
(3R)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 52513892
(3S)-1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 94079963
1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 50797741
N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-1-propylsulfonylpiperidine-2-carboxamide
CID 56552352
(3S)-1-(3,4-difluorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 94469084
(2S)-N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide
CID 95280930
(3S)-1-(4-chlorophenyl)-N-ethoxy-2-oxopyrrolidine-3-carboxamide
CID 94211690
(3S)-1-(4-chlorophenyl)-N-cyclooctyl-2-oxopyrrolidine-3-carboxamide
CID 94079940
(3R)-1-(4-chlorophenyl)-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 93059075
1-(4-chlorophenyl)-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 46048881

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide (CID 56552765) is 1-(4-chlorophenyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide is COc1ccccc1-c1cc(NC(=O)C2CCN(c3ccc(Cl)cc3)C2=O)n[nH]1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide?
The InChIKey is DOFNNIXVENWCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O3/c1-29-18-5-3-2-4-15(18)17-12-19(25-24-17)23-20(27)16-10-11-26(21(16)28)14-8-6-13(22)7-9-14/h2-9,12,16H,10-11H2,1H3,(H2,23,24,25,27).
What are the key properties of 1-(4-chlorophenyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide?
1-(4-chlorophenyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide has a molecular weight of 410.86 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 56552765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).