N-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C19H24N4O2 — CID 95621387

IUPACN-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)N(C)[C@H]1CCN(c2ccccc2)C1=O
InChIInChI=1S/C19H24N4O2/c1-13-16(14(2)22(4)20-13)12-18(24)21(3)17-10-11-23(19(17)25)15-8-6-5-7-9-15/h5-9,17H,10-12H2,1-4H3/t17-/m0/s1
InChIKeyAAXFIPYNTJATES-KRWDZBQOSA-N
MW340.43 g/mol
LogP1.84
Rot. Bonds4

About N-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 95621387) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID95621387
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)N(C)[C@H]1CCN(c2ccccc2)C1=O
InChIInChI=1S/C19H24N4O2/c1-13-16(14(2)22(4)20-13)12-18(24)21(3)17-10-11-23(19(17)25)15-8-6-5-7-9-15/h5-9,17H,10-12H2,1-4H3/t17-/m0/s1
InChIKeyAAXFIPYNTJATES-KRWDZBQOSA-N
XLogP1.84
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(methylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide
CID 119776453
3-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide;hydrochloride
CID 119319399
1-[2-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]-2-oxoethyl]pyrazole-4-carboxylic acid
CID 146136932
2-(2-methoxyethylamino)-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide
CID 119776473
3-(2,6-dimethylphenyl)-1-methyl-1-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea
CID 95630430
3-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]propanoic acid
CID 119958678
3-(2-methoxy-4-methylphenoxy)-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 86936136
3-[2-hydroxyethyl(methyl)amino]-1-phenylpyrrolidin-2-one
CID 111544278
1-methyl-1-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-pyridin-4-ylurea
CID 95980251
2-amino-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide;hydrochloride
CID 119323654
4-amino-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide
CID 119328406
N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[1.1.0]butane-1-carboxamide
CID 166427367

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 95621387) is N-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1CC(=O)N(C)[C@H]1CCN(c2ccccc2)C1=O.
What is the InChIKey of N-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is AAXFIPYNTJATES-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-16(14(2)22(4)20-13)12-18(24)21(3)17-10-11-23(19(17)25)15-8-6-5-7-9-15/h5-9,17H,10-12H2,1-4H3/t17-/m0/s1.
What are the key properties of N-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 340.43 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 95621387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).