4-methoxy-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylbenzamide

C22H22N4O3 — CID 126780344

IUPAC4-methoxy-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylbenzamide
SMILESCOc1ccc(C(=O)NC2CCN(c3cnn(C)c3)C2=O)cc1-c1ccccc1
InChIInChI=1S/C22H22N4O3/c1-25-14-17(13-23-25)26-11-10-19(22(26)28)24-21(27)16-8-9-20(29-2)18(12-16)15-6-4-3-5-7-15/h3-9,12-14,19H,10-11H2,1-2H3,(H,24,27)
InChIKeyMONRMNCQSWSKLK-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.63
Rot. Bonds5

About 4-methoxy-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylbenzamide

4-methoxy-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylbenzamide (PubChem CID 126780344) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 4-methoxy-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylbenzamide
PubChem CID126780344
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name4-methoxy-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylbenzamide
SMILESCOc1ccc(C(=O)NC2CCN(c3cnn(C)c3)C2=O)cc1-c1ccccc1
InChIInChI=1S/C22H22N4O3/c1-25-14-17(13-23-25)26-11-10-19(22(26)28)24-21(27)16-8-9-20(29-2)18(12-16)15-6-4-3-5-7-15/h3-9,12-14,19H,10-11H2,1-2H3,(H,24,27)
InChIKeyMONRMNCQSWSKLK-UHFFFAOYSA-N
XLogP2.63
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 136524569
4-methoxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234404
(Z)-N-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide
CID 98525887
N-[(3R)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide
CID 124615530
3-amino-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylpropanamide
CID 119951802
3-cyclopentyloxy-4-methoxy-N-[(3S)-2-oxo-1-phenylpiperidin-3-yl]benzamide
CID 10409183
(2S)-N-[(3R)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-2-phenylpentanamide
CID 95629604
3-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 164634853
3-fluoro-4-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234414
3,5-dimethyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234364
(2S)-2-amino-3-methyl-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]butanamide
CID 119330173
4-methoxy-N-(1-methylpyrazol-3-yl)-3-phenylbenzamide
CID 49320232

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylbenzamide?
The IUPAC name of 4-methoxy-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylbenzamide (CID 126780344) is 4-methoxy-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylbenzamide.
What is the SMILES notation for 4-methoxy-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylbenzamide?
The canonical SMILES for 4-methoxy-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylbenzamide is COc1ccc(C(=O)NC2CCN(c3cnn(C)c3)C2=O)cc1-c1ccccc1.
What is the InChIKey of 4-methoxy-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylbenzamide?
The InChIKey is MONRMNCQSWSKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-25-14-17(13-23-25)26-11-10-19(22(26)28)24-21(27)16-8-9-20(29-2)18(12-16)15-6-4-3-5-7-15/h3-9,12-14,19H,10-11H2,1-2H3,(H,24,27).
What are the key properties of 4-methoxy-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylbenzamide?
4-methoxy-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylbenzamide has a molecular weight of 390.44 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylbenzamide is sourced from PubChem (CID 126780344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).