1-phenyl-4-(pyrazole-1-carbonyl)pyrrolidin-2-one

C14H13N3O2 — CID 110465044

IUPAC1-phenyl-4-(pyrazole-1-carbonyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)n2cccn2)CN1c1ccccc1
InChIInChI=1S/C14H13N3O2/c18-13-9-11(14(19)17-8-4-7-15-17)10-16(13)12-5-2-1-3-6-12/h1-8,11H,9-10H2
InChIKeyFZRIKWUBLBMJQY-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.58
Rot. Bonds2

About 1-phenyl-4-(pyrazole-1-carbonyl)pyrrolidin-2-one

1-phenyl-4-(pyrazole-1-carbonyl)pyrrolidin-2-one (PubChem CID 110465044) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-phenyl-4-(pyrazole-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-phenyl-4-(pyrazole-1-carbonyl)pyrrolidin-2-one
PubChem CID110465044
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name1-phenyl-4-(pyrazole-1-carbonyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)n2cccn2)CN1c1ccccc1
InChIInChI=1S/C14H13N3O2/c18-13-9-11(14(19)17-8-4-7-15-17)10-16(13)12-5-2-1-3-6-12/h1-8,11H,9-10H2
InChIKeyFZRIKWUBLBMJQY-UHFFFAOYSA-N
XLogP1.58
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 2977525
(4R)-1-phenyl-4-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95158638
(4R)-4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 9350587
(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 29140001
4-(benzimidazole-1-carbonyl)-1-phenylpyrrolidin-2-one
CID 18885924
(4R)-4-(3,5-dimethylpyrazole-1-carbonyl)-1-phenylpyrrolidin-2-one
CID 7449418
(3S)-N,N-dimethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350614
(3S)-N,N-diethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350542
(3S)-5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 40500966
(4S)-4-[(3R)-3-methylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 92719146
N'-hydroxy-5-oxo-1-phenylpyrrolidine-3-carboximidamide
CID 138111840
4-[3-[4-(2-oxopyrrolidin-1-yl)pyrazol-1-yl]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 126945157

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(pyrazole-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-phenyl-4-(pyrazole-1-carbonyl)pyrrolidin-2-one (CID 110465044) is 1-phenyl-4-(pyrazole-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-phenyl-4-(pyrazole-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-phenyl-4-(pyrazole-1-carbonyl)pyrrolidin-2-one is O=C1CC(C(=O)n2cccn2)CN1c1ccccc1.
What is the InChIKey of 1-phenyl-4-(pyrazole-1-carbonyl)pyrrolidin-2-one?
The InChIKey is FZRIKWUBLBMJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c18-13-9-11(14(19)17-8-4-7-15-17)10-16(13)12-5-2-1-3-6-12/h1-8,11H,9-10H2.
What are the key properties of 1-phenyl-4-(pyrazole-1-carbonyl)pyrrolidin-2-one?
1-phenyl-4-(pyrazole-1-carbonyl)pyrrolidin-2-one has a molecular weight of 255.28 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(pyrazole-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 110465044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).