4-fluoro-N-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-pyrazol-1-ylbenzamide

C21H19FN4O3 — CID 46968198

IUPAC4-fluoro-N-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-pyrazol-1-ylbenzamide
SMILESCOc1ccccc1N1CC(NC(=O)c2ccc(F)c(-n3cccn3)c2)CC1=O
InChIInChI=1S/C21H19FN4O3/c1-29-19-6-3-2-5-17(19)25-13-15(12-20(25)27)24-21(28)14-7-8-16(22)18(11-14)26-10-4-9-23-26/h2-11,15H,12-13H2,1H3,(H,24,28)
InChIKeyCHBSRSBSWKSXNH-UHFFFAOYSA-N
MW394.41 g/mol
LogP2.56
Rot. Bonds5

About 4-fluoro-N-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-pyrazol-1-ylbenzamide

4-fluoro-N-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-pyrazol-1-ylbenzamide (PubChem CID 46968198) has the molecular formula C21H19FN4O3 and a molecular weight of 394.41 g/mol. Its IUPAC name is 4-fluoro-N-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-pyrazol-1-ylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-pyrazol-1-ylbenzamide
PubChem CID46968198
Molecular FormulaC21H19FN4O3
Molecular Weight394.41 g/mol
Exact Mass394.14
IUPAC Name4-fluoro-N-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-pyrazol-1-ylbenzamide
SMILESCOc1ccccc1N1CC(NC(=O)c2ccc(F)c(-n3cccn3)c2)CC1=O
InChIInChI=1S/C21H19FN4O3/c1-29-19-6-3-2-5-17(19)25-13-15(12-20(25)27)24-21(28)14-7-8-16(22)18(11-14)26-10-4-9-23-26/h2-11,15H,12-13H2,1H3,(H,24,28)
InChIKeyCHBSRSBSWKSXNH-UHFFFAOYSA-N
XLogP2.56
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-pyrazol-1-ylbenzamide?
The IUPAC name of 4-fluoro-N-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-pyrazol-1-ylbenzamide (CID 46968198) is 4-fluoro-N-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-pyrazol-1-ylbenzamide.
What is the SMILES notation for 4-fluoro-N-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-pyrazol-1-ylbenzamide?
The canonical SMILES for 4-fluoro-N-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-pyrazol-1-ylbenzamide is COc1ccccc1N1CC(NC(=O)c2ccc(F)c(-n3cccn3)c2)CC1=O.
What is the InChIKey of 4-fluoro-N-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-pyrazol-1-ylbenzamide?
The InChIKey is CHBSRSBSWKSXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O3/c1-29-19-6-3-2-5-17(19)25-13-15(12-20(25)27)24-21(28)14-7-8-16(22)18(11-14)26-10-4-9-23-26/h2-11,15H,12-13H2,1H3,(H,24,28).
What are the key properties of 4-fluoro-N-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-pyrazol-1-ylbenzamide?
4-fluoro-N-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-pyrazol-1-ylbenzamide has a molecular weight of 394.41 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-pyrazol-1-ylbenzamide is sourced from PubChem (CID 46968198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).