5-methyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-3-phenyl-1H-pyrazole-4-carboxamide

C22H22N4O2 — CID 155913728

IUPAC5-methyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-3-phenyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(-c2ccccc2)c1C(=O)NCC1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C22H22N4O2/c1-15-20(21(25-24-15)17-8-4-2-5-9-17)22(28)23-13-16-12-19(27)26(14-16)18-10-6-3-7-11-18/h2-11,16H,12-14H2,1H3,(H,23,28)(H,24,25)
InChIKeyQWCALUOKEUMGHU-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.17
Rot. Bonds5

About 5-methyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-3-phenyl-1H-pyrazole-4-carboxamide

5-methyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-3-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 155913728) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 5-methyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-3-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-3-phenyl-1H-pyrazole-4-carboxamide
PubChem CID155913728
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name5-methyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-3-phenyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(-c2ccccc2)c1C(=O)NCC1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C22H22N4O2/c1-15-20(21(25-24-15)17-8-4-2-5-9-17)22(28)23-13-16-12-19(27)26(14-16)18-10-6-3-7-11-18/h2-11,16H,12-14H2,1H3,(H,23,28)(H,24,25)
InChIKeyQWCALUOKEUMGHU-UHFFFAOYSA-N
XLogP3.17
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 16918211
3-methyl-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 40876165
5-(difluoromethyl)-N-[[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide
CID 126449062
methyl 2-[(5-oxo-1-phenylpyrrolidin-3-yl)methylcarbamoyl]benzoate
CID 16918311
N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-2-propylpentanamide
CID 16918191
2-methylsulfanyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 16918317
N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-2,2-diphenylacetamide
CID 16918291
N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-phenylacetamide
CID 40895899
3-nitro-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 16918248
2-(3-chlorophenyl)-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 110737325
2-(dimethylcarbamoylamino)-N-[[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 125162032
2-(2-methoxyphenoxy)-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 16918272

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-3-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-3-phenyl-1H-pyrazole-4-carboxamide (CID 155913728) is 5-methyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-3-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-3-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-3-phenyl-1H-pyrazole-4-carboxamide is Cc1[nH]nc(-c2ccccc2)c1C(=O)NCC1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of 5-methyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-3-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is QWCALUOKEUMGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-15-20(21(25-24-15)17-8-4-2-5-9-17)22(28)23-13-16-12-19(27)26(14-16)18-10-6-3-7-11-18/h2-11,16H,12-14H2,1H3,(H,23,28)(H,24,25).
What are the key properties of 5-methyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-3-phenyl-1H-pyrazole-4-carboxamide?
5-methyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-3-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-3-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 155913728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).