5-oxo-N-(3-phenyloxetan-3-yl)-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide

C17H18N4O3 — CID 138021768

IUPAC5-oxo-N-(3-phenyloxetan-3-yl)-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESO=C(NC1(c2ccccc2)COC1)C1CC(=O)N(c2cn[nH]c2)C1
InChIInChI=1S/C17H18N4O3/c22-15-6-12(9-21(15)14-7-18-19-8-14)16(23)20-17(10-24-11-17)13-4-2-1-3-5-13/h1-5,7-8,12H,6,9-11H2,(H,18,19)(H,20,23)
InChIKeyMXEVTBQCHYTQFY-UHFFFAOYSA-N
MW326.36 g/mol
LogP0.80
Rot. Bonds4

About 5-oxo-N-(3-phenyloxetan-3-yl)-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide

5-oxo-N-(3-phenyloxetan-3-yl)-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide (PubChem CID 138021768) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 5-oxo-N-(3-phenyloxetan-3-yl)-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(3-phenyloxetan-3-yl)-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
PubChem CID138021768
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name5-oxo-N-(3-phenyloxetan-3-yl)-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESO=C(NC1(c2ccccc2)COC1)C1CC(=O)N(c2cn[nH]c2)C1
InChIInChI=1S/C17H18N4O3/c22-15-6-12(9-21(15)14-7-18-19-8-14)16(23)20-17(10-24-11-17)13-4-2-1-3-5-13/h1-5,7-8,12H,6,9-11H2,(H,18,19)(H,20,23)
InChIKeyMXEVTBQCHYTQFY-UHFFFAOYSA-N
XLogP0.80
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-5-oxo-N-[(4-phenylsulfanylphenyl)methyl]-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 99612706
(3R)-N-[(2R)-1-(2-methylphenyl)propan-2-yl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 124610155
4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one;hydrochloride
CID 120748845
1-(2-chlorophenyl)-N-[4-(4-fluorophenyl)oxan-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 86897729
(3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 124610218
N-[4-(cyclopentylcarbamoyl)phenyl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 71863098
(3S)-1-(4-fluorophenyl)-5-oxo-N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-3-carboxamide
CID 51895433
(4R)-4-[(3S)-3-aminopyrrolidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
CID 124698691
N-[(2,6-dimethylphenyl)methyl]-N-methyl-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 136566998
(4S)-4-[(3S)-3-methylpiperazine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
CID 124697847
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
CID 120814064
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 122319413

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(3-phenyloxetan-3-yl)-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-N-(3-phenyloxetan-3-yl)-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide (CID 138021768) is 5-oxo-N-(3-phenyloxetan-3-yl)-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-(3-phenyloxetan-3-yl)-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-(3-phenyloxetan-3-yl)-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide is O=C(NC1(c2ccccc2)COC1)C1CC(=O)N(c2cn[nH]c2)C1.
What is the InChIKey of 5-oxo-N-(3-phenyloxetan-3-yl)-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is MXEVTBQCHYTQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c22-15-6-12(9-21(15)14-7-18-19-8-14)16(23)20-17(10-24-11-17)13-4-2-1-3-5-13/h1-5,7-8,12H,6,9-11H2,(H,18,19)(H,20,23).
What are the key properties of 5-oxo-N-(3-phenyloxetan-3-yl)-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide?
5-oxo-N-(3-phenyloxetan-3-yl)-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(3-phenyloxetan-3-yl)-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 138021768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).