3-(1H-pyrazol-4-yl)-1-pyridin-2-ylpyrrolidin-2-one

C12H12N4O — CID 67303473

IUPAC3-(1H-pyrazol-4-yl)-1-pyridin-2-ylpyrrolidin-2-one
SMILESO=C1C(c2cn[nH]c2)CCN1c1ccccn1
InChIInChI=1S/C12H12N4O/c17-12-10(9-7-14-15-8-9)4-6-16(12)11-3-1-2-5-13-11/h1-3,5,7-8,10H,4,6H2,(H,14,15)
InChIKeyGYXPCMMYGGVLGT-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.33
Rot. Bonds2

About 3-(1H-pyrazol-4-yl)-1-pyridin-2-ylpyrrolidin-2-one

3-(1H-pyrazol-4-yl)-1-pyridin-2-ylpyrrolidin-2-one (PubChem CID 67303473) has the molecular formula C12H12N4O and a molecular weight of 228.26 g/mol. Its IUPAC name is 3-(1H-pyrazol-4-yl)-1-pyridin-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(1H-pyrazol-4-yl)-1-pyridin-2-ylpyrrolidin-2-one
PubChem CID67303473
Molecular FormulaC12H12N4O
Molecular Weight228.26 g/mol
Exact Mass228.10
IUPAC Name3-(1H-pyrazol-4-yl)-1-pyridin-2-ylpyrrolidin-2-one
SMILESO=C1C(c2cn[nH]c2)CCN1c1ccccn1
InChIInChI=1S/C12H12N4O/c17-12-10(9-7-14-15-8-9)4-6-16(12)11-3-1-2-5-13-11/h1-3,5,7-8,10H,4,6H2,(H,14,15)
InChIKeyGYXPCMMYGGVLGT-UHFFFAOYSA-N
XLogP1.33
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-bromo-1-pyridin-2-ylpyrrolidin-2-one
CID 70147922
3-(4-fluorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
CID 118238989
3-methyl-1-pyridin-2-yl-1,4-diazepan-2-one
CID 115102065
(3R)-3-(3-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
CID 125488196
3-(4-phenylbutyl)-1-pyridin-2-ylpiperazin-2-one
CID 171550384
1-(1-methylpyrazol-4-yl)-3-phenylpyrrolidin-2-one
CID 175939798
3,4-dichloro-1-pyridin-2-yl-2H-pyrrol-5-one
CID 20820538
1-pyridin-2-yl-3,4-dihydro-2H-quinolin-4-ol
CID 141319516
5-(5-oxo-1-pyridin-2-ylpyrazolidin-4-yl)-1H-pyridin-2-one
CID 141160109
(3aR,4R,7R,7aR)-4,7-diphenyl-2-pyridin-2-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 11897436
4-chloro-1-pyridin-2-ylpyrrolidin-2-one
CID 168690022
2-pyridin-2-yl-3,4-dihydroisoquinolin-1-one
CID 162411667

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-4-yl)-1-pyridin-2-ylpyrrolidin-2-one?
The IUPAC name of 3-(1H-pyrazol-4-yl)-1-pyridin-2-ylpyrrolidin-2-one (CID 67303473) is 3-(1H-pyrazol-4-yl)-1-pyridin-2-ylpyrrolidin-2-one.
What is the SMILES notation for 3-(1H-pyrazol-4-yl)-1-pyridin-2-ylpyrrolidin-2-one?
The canonical SMILES for 3-(1H-pyrazol-4-yl)-1-pyridin-2-ylpyrrolidin-2-one is O=C1C(c2cn[nH]c2)CCN1c1ccccn1.
What is the InChIKey of 3-(1H-pyrazol-4-yl)-1-pyridin-2-ylpyrrolidin-2-one?
The InChIKey is GYXPCMMYGGVLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c17-12-10(9-7-14-15-8-9)4-6-16(12)11-3-1-2-5-13-11/h1-3,5,7-8,10H,4,6H2,(H,14,15).
What are the key properties of 3-(1H-pyrazol-4-yl)-1-pyridin-2-ylpyrrolidin-2-one?
3-(1H-pyrazol-4-yl)-1-pyridin-2-ylpyrrolidin-2-one has a molecular weight of 228.26 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-4-yl)-1-pyridin-2-ylpyrrolidin-2-one is sourced from PubChem (CID 67303473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).