3-acetyl-N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-1H-pyrazole-5-carboxamide

C18H19FN4O3 — CID 56911030

IUPAC3-acetyl-N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
SMILESCC(=O)c1cc(C(=O)NC2CC(=O)N(CCc3ccc(F)cc3)C2)[nH]n1
InChIInChI=1S/C18H19FN4O3/c1-11(24)15-9-16(22-21-15)18(26)20-14-8-17(25)23(10-14)7-6-12-2-4-13(19)5-3-12/h2-5,9,14H,6-8,10H2,1H3,(H,20,26)(H,21,22)
InChIKeyUJKLVIZSUNFGDC-UHFFFAOYSA-N
MW358.37 g/mol
LogP1.32
Rot. Bonds6

About 3-acetyl-N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-1H-pyrazole-5-carboxamide

3-acetyl-N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-1H-pyrazole-5-carboxamide (PubChem CID 56911030) has the molecular formula C18H19FN4O3 and a molecular weight of 358.37 g/mol. Its IUPAC name is 3-acetyl-N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-acetyl-N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
PubChem CID56911030
Molecular FormulaC18H19FN4O3
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC Name3-acetyl-N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
SMILESCC(=O)c1cc(C(=O)NC2CC(=O)N(CCc3ccc(F)cc3)C2)[nH]n1
InChIInChI=1S/C18H19FN4O3/c1-11(24)15-9-16(22-21-15)18(26)20-14-8-17(25)23(10-14)7-6-12-2-4-13(19)5-3-12/h2-5,9,14H,6-8,10H2,1H3,(H,20,26)(H,21,22)
InChIKeyUJKLVIZSUNFGDC-UHFFFAOYSA-N
XLogP1.32
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 56910590
N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide
CID 42189825
N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 45181468
N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 56886684
N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-hydroxybenzamide
CID 95720923
2-acetamido-N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide
CID 26334712
N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 95730020
N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 95730019
N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
CID 42345548
2-(4-ethylphenyl)-N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide
CID 95723598
N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-hydroxy-3-methylbenzamide
CID 95720011
N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-piperidin-1-ylacetamide
CID 25449003

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-acetyl-N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-1H-pyrazole-5-carboxamide (CID 56911030) is 3-acetyl-N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-acetyl-N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-acetyl-N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-1H-pyrazole-5-carboxamide is CC(=O)c1cc(C(=O)NC2CC(=O)N(CCc3ccc(F)cc3)C2)[nH]n1.
What is the InChIKey of 3-acetyl-N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is UJKLVIZSUNFGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O3/c1-11(24)15-9-16(22-21-15)18(26)20-14-8-17(25)23(10-14)7-6-12-2-4-13(19)5-3-12/h2-5,9,14H,6-8,10H2,1H3,(H,20,26)(H,21,22).
What are the key properties of 3-acetyl-N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-1H-pyrazole-5-carboxamide?
3-acetyl-N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 358.37 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 56911030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).