5-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

C22H23N5O3 — CID 46483778

IUPAC5-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESNC(=O)C1CC(C(=O)NCc2cccc(N3CCCC3=O)c2)=NN1c1ccccc1
InChIInChI=1S/C22H23N5O3/c23-21(29)19-13-18(25-27(19)16-7-2-1-3-8-16)22(30)24-14-15-6-4-9-17(12-15)26-11-5-10-20(26)28/h1-4,6-9,12,19H,5,10-11,13-14H2,(H2,23,29)(H,24,30)
InChIKeyWCIWYSXYAUUNEM-UHFFFAOYSA-N
MW405.46 g/mol
LogP1.55
Rot. Bonds6

About 5-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

5-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (PubChem CID 46483778) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 5-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
PubChem CID46483778
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name5-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESNC(=O)C1CC(C(=O)NCc2cccc(N3CCCC3=O)c2)=NN1c1ccccc1
InChIInChI=1S/C22H23N5O3/c23-21(29)19-13-18(25-27(19)16-7-2-1-3-8-16)22(30)24-14-15-6-4-9-17(12-15)26-11-5-10-20(26)28/h1-4,6-9,12,19H,5,10-11,13-14H2,(H2,23,29)(H,24,30)
InChIKeyWCIWYSXYAUUNEM-UHFFFAOYSA-N
XLogP1.55
TPSA108.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-oxopyrrolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 39003599
2-amino-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylpropanamide
CID 119289931
2-(4-fluorophenyl)-5-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55971413
3,3-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 39004153
(3S)-5-N-[(2,5-dimethoxyphenyl)methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 39999616
3,6-dichloro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-2-carboxamide
CID 39516427
5-cyclopropyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 39516950
5-methyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 39003298
4-ethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiadiazole-5-carboxamide
CID 39516489
3-(cyclopentylsulfamoyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 39517268
2-(4-fluorophenyl)-5-N-[[3-(pyridine-4-carbonylamino)phenyl]methyl]-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55903469
(3R)-2-phenyl-5-N-[(1-phenylcyclobutyl)methyl]-3,4-dihydropyrazole-3,5-dicarboxamide
CID 51729138

Frequently Asked Questions

What is the IUPAC name of 5-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The IUPAC name of 5-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (CID 46483778) is 5-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide.
What is the SMILES notation for 5-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The canonical SMILES for 5-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide is NC(=O)C1CC(C(=O)NCc2cccc(N3CCCC3=O)c2)=NN1c1ccccc1.
What is the InChIKey of 5-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The InChIKey is WCIWYSXYAUUNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c23-21(29)19-13-18(25-27(19)16-7-2-1-3-8-16)22(30)24-14-15-6-4-9-17(12-15)26-11-5-10-20(26)28/h1-4,6-9,12,19H,5,10-11,13-14H2,(H2,23,29)(H,24,30).
What are the key properties of 5-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
5-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide has a molecular weight of 405.46 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide is sourced from PubChem (CID 46483778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).