N-[(3S,4R)-1-(5-oxo-1,2-dihydropyrazole-3-carbonyl)-4-propylpyrrolidin-3-yl]acetamide

C13H20N4O3 — CID 70782521

IUPACN-[(3S,4R)-1-(5-oxo-1,2-dihydropyrazole-3-carbonyl)-4-propylpyrrolidin-3-yl]acetamide
SMILESCCC[C@@H]1CN(C(=O)c2cc(=O)[nH][nH]2)C[C@H]1NC(C)=O
InChIInChI=1S/C13H20N4O3/c1-3-4-9-6-17(7-11(9)14-8(2)18)13(20)10-5-12(19)16-15-10/h5,9,11H,3-4,6-7H2,1-2H3,(H,14,18)(H2,15,16,19)/t9-,11-/m1/s1
InChIKeyIINHHJXRFGYIGH-MWLCHTKSSA-N
MW280.33 g/mol
LogP0.08
Rot. Bonds4

About N-[(3S,4R)-1-(5-oxo-1,2-dihydropyrazole-3-carbonyl)-4-propylpyrrolidin-3-yl]acetamide

N-[(3S,4R)-1-(5-oxo-1,2-dihydropyrazole-3-carbonyl)-4-propylpyrrolidin-3-yl]acetamide (PubChem CID 70782521) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[(3S,4R)-1-(5-oxo-1,2-dihydropyrazole-3-carbonyl)-4-propylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-(5-oxo-1,2-dihydropyrazole-3-carbonyl)-4-propylpyrrolidin-3-yl]acetamide
PubChem CID70782521
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC NameN-[(3S,4R)-1-(5-oxo-1,2-dihydropyrazole-3-carbonyl)-4-propylpyrrolidin-3-yl]acetamide
SMILESCCC[C@@H]1CN(C(=O)c2cc(=O)[nH][nH]2)C[C@H]1NC(C)=O
InChIInChI=1S/C13H20N4O3/c1-3-4-9-6-17(7-11(9)14-8(2)18)13(20)10-5-12(19)16-15-10/h5,9,11H,3-4,6-7H2,1-2H3,(H,14,18)(H2,15,16,19)/t9-,11-/m1/s1
InChIKeyIINHHJXRFGYIGH-MWLCHTKSSA-N
XLogP0.08
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(3S,4R)-1-(5-oxo-1,2-dihydropyrazole-3-carbonyl)-4-propylpyrrolidin-3-yl]acetamide with MolForge

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Related Compounds

N-methyl-5-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1,2-dihydropyrazole-3-carboxamide
CID 90224495
N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 90226850
N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-2-methyl-5-oxo-1H-pyrazole-3-carboxamide
CID 130365401
N-[(3R,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide
CID 130365402
N-[(3S,4S)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide
CID 130375856
N-[(3S,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide
CID 130375857
N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide
CID 146364073
5-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2-dihydropyrazole-3-carboxamide
CID 108466354
N-(2-methylcyclohexyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 108466363
6-[2-(4-methylpyrazolidin-3-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 133701127
5-(8-amino-6-azaspiro[3.4]octane-6-carbonyl)-2-methyl-1H-pyrazol-3-one
CID 137936246
N-(5-azaspiro[3.4]octan-8-yl)-2-methyl-3-oxo-1H-pyrazole-5-carboxamide
CID 138010877

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-(5-oxo-1,2-dihydropyrazole-3-carbonyl)-4-propylpyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-1-(5-oxo-1,2-dihydropyrazole-3-carbonyl)-4-propylpyrrolidin-3-yl]acetamide (CID 70782521) is N-[(3S,4R)-1-(5-oxo-1,2-dihydropyrazole-3-carbonyl)-4-propylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-1-(5-oxo-1,2-dihydropyrazole-3-carbonyl)-4-propylpyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-1-(5-oxo-1,2-dihydropyrazole-3-carbonyl)-4-propylpyrrolidin-3-yl]acetamide is CCC[C@@H]1CN(C(=O)c2cc(=O)[nH][nH]2)C[C@H]1NC(C)=O.
What is the InChIKey of N-[(3S,4R)-1-(5-oxo-1,2-dihydropyrazole-3-carbonyl)-4-propylpyrrolidin-3-yl]acetamide?
The InChIKey is IINHHJXRFGYIGH-MWLCHTKSSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-3-4-9-6-17(7-11(9)14-8(2)18)13(20)10-5-12(19)16-15-10/h5,9,11H,3-4,6-7H2,1-2H3,(H,14,18)(H2,15,16,19)/t9-,11-/m1/s1.
What are the key properties of N-[(3S,4R)-1-(5-oxo-1,2-dihydropyrazole-3-carbonyl)-4-propylpyrrolidin-3-yl]acetamide?
N-[(3S,4R)-1-(5-oxo-1,2-dihydropyrazole-3-carbonyl)-4-propylpyrrolidin-3-yl]acetamide has a molecular weight of 280.33 g/mol, XLogP of 0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-(5-oxo-1,2-dihydropyrazole-3-carbonyl)-4-propylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 70782521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).