5-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one

C14H14FN3O — CID 134691416

IUPAC5-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
SMILESCn1cc(N2C(=O)CCC2c2ccc(F)cc2)cn1
InChIInChI=1S/C14H14FN3O/c1-17-9-12(8-16-17)18-13(6-7-14(18)19)10-2-4-11(15)5-3-10/h2-5,8-9,13H,6-7H2,1H3
InChIKeyHMBWWNZMFCREIN-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.43
Rot. Bonds2

About 5-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one

5-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one (PubChem CID 134691416) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
PubChem CID134691416
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name5-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
SMILESCn1cc(N2C(=O)CCC2c2ccc(F)cc2)cn1
InChIInChI=1S/C14H14FN3O/c1-17-9-12(8-16-17)18-13(6-7-14(18)19)10-2-4-11(15)5-3-10/h2-5,8-9,13H,6-7H2,1H3
InChIKeyHMBWWNZMFCREIN-UHFFFAOYSA-N
XLogP2.43
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromoimidazo[1,2-a]pyridin-6-yl)-5-(4-fluorophenyl)pyrrolidin-2-one
CID 171799346
(3aR,7aR)-1-methyl-4-(1-methylpyrazol-4-yl)-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
CID 124815421
1-(4-fluorophenyl)-6-phenylpiperidin-2-one
CID 14576903
5-(4-fluorophenyl)-1-(2-hydroxyethyl)pyrrolidin-2-one
CID 71652003
5-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one
CID 166989402
(5S)-1-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]-5-phenylpyrrolidin-2-one
CID 155744225
[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95590717
(3aR,7aR)-4-(1-methylpyrazol-4-yl)-1-(thiophen-2-ylmethyl)-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
CID 97460972
(3aS,7aR)-4-(1-methylpyrazol-4-yl)-1-(pyridine-4-carbonyl)-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
CID 97379366
6-(4-fluorophenyl)-1-methyl-1,3-diazinan-2-one
CID 86649305
1-[3-amino-4-(N-amino-4-fluoroanilino)phenyl]-5-phenylpyrrolidin-2-one
CID 155744206
3-methyl-2-(1-methylpyrazol-4-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944186

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The IUPAC name of 5-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one (CID 134691416) is 5-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one is Cn1cc(N2C(=O)CCC2c2ccc(F)cc2)cn1.
What is the InChIKey of 5-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The InChIKey is HMBWWNZMFCREIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-17-9-12(8-16-17)18-13(6-7-14(18)19)10-2-4-11(15)5-3-10/h2-5,8-9,13H,6-7H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
5-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one has a molecular weight of 259.28 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 134691416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).