1-(4-fluoro-5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one

C12H11FN4O — CID 162740248

IUPAC1-(4-fluoro-5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one
SMILESO=C1CCCN1c1n[nH]c(-c2ccncc2)c1F
InChIInChI=1S/C12H11FN4O/c13-10-11(8-3-5-14-6-4-8)15-16-12(10)17-7-1-2-9(17)18/h3-6H,1-2,7H2,(H,15,16)
InChIKeyFHESFMGCXJIJDO-UHFFFAOYSA-N
MW246.25 g/mol
LogP1.74
Rot. Bonds2

About 1-(4-fluoro-5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one

1-(4-fluoro-5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one (PubChem CID 162740248) has the molecular formula C12H11FN4O and a molecular weight of 246.25 g/mol. Its IUPAC name is 1-(4-fluoro-5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-fluoro-5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one
PubChem CID162740248
Molecular FormulaC12H11FN4O
Molecular Weight246.25 g/mol
Exact Mass246.09
IUPAC Name1-(4-fluoro-5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one
SMILESO=C1CCCN1c1n[nH]c(-c2ccncc2)c1F
InChIInChI=1S/C12H11FN4O/c13-10-11(8-3-5-14-6-4-8)15-16-12(10)17-7-1-2-9(17)18/h3-6H,1-2,7H2,(H,15,16)
InChIKeyFHESFMGCXJIJDO-UHFFFAOYSA-N
XLogP1.74
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-oxopyrrolidin-1-yl)-5-(4-pyridin-4-ylphenyl)phenyl]pyrrolidin-2-one
CID 172517099
1,2-difluoro-4-methylbenzene;1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-2-one
CID 162740291
2-chloro-5-methylpyridine;1-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one
CID 162740265
1-[2,6-difluoro-4-(2-hydroxy-3-pyridin-4-ylphenyl)phenyl]pyrrolidin-2-one
CID 166167104
(3R)-1-(4-chloro-5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[(6-fluoro-3-pyridinyl)methyl]piperidin-2-one
CID 162784343
1-[4-(4-methyl-5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one
CID 146769068
1-[4-(1H-pyrazol-5-yl)phenyl]pyrrolidin-2-one
CID 175851778
(3R)-3-[(3-fluoro-4-isocyanophenyl)methyl]-1-(4-fluoro-5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-2-one;(3S)-3-[(3-fluoro-4-isocyanophenyl)methyl]-1-(4-fluoro-5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-2-one;3-[(3-fluoro-4-isocyanophenyl)methyl]-1-[4-fluoro-3-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]piperidin-2-one
CID 163574210
4-[5-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine
CID 22037711
1-(2-fluoro-4-iodophenyl)pyrrolidin-2-one
CID 142682975
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
(3S)-3-[(6-chloro-3-pyridinyl)methyl]-1-(4-chloro-5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-2-one
CID 162784442

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one?
The IUPAC name of 1-(4-fluoro-5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one (CID 162740248) is 1-(4-fluoro-5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-fluoro-5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-fluoro-5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one is O=C1CCCN1c1n[nH]c(-c2ccncc2)c1F.
What is the InChIKey of 1-(4-fluoro-5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one?
The InChIKey is FHESFMGCXJIJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O/c13-10-11(8-3-5-14-6-4-8)15-16-12(10)17-7-1-2-9(17)18/h3-6H,1-2,7H2,(H,15,16).
What are the key properties of 1-(4-fluoro-5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one?
1-(4-fluoro-5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one has a molecular weight of 246.25 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 162740248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).