1-[1-[1-(3-chloro-4-pyridinyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one

C15H16ClN5O — CID 126945269

IUPAC1-[1-[1-(3-chloro-4-pyridinyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cnn(C2CN(c3ccncc3Cl)C2)c1
InChIInChI=1S/C15H16ClN5O/c16-13-7-17-4-3-14(13)19-8-12(9-19)21-10-11(6-18-21)20-5-1-2-15(20)22/h3-4,6-7,10,12H,1-2,5,8-9H2
InChIKeyARQMRSPZGNHHIH-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.12
Rot. Bonds3

About 1-[1-[1-(3-chloro-4-pyridinyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one

1-[1-[1-(3-chloro-4-pyridinyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one (PubChem CID 126945269) has the molecular formula C15H16ClN5O and a molecular weight of 317.78 g/mol. Its IUPAC name is 1-[1-[1-(3-chloro-4-pyridinyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[1-(3-chloro-4-pyridinyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
PubChem CID126945269
Molecular FormulaC15H16ClN5O
Molecular Weight317.78 g/mol
Exact Mass317.10
IUPAC Name1-[1-[1-(3-chloro-4-pyridinyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cnn(C2CN(c3ccncc3Cl)C2)c1
InChIInChI=1S/C15H16ClN5O/c16-13-7-17-4-3-14(13)19-8-12(9-19)21-10-11(6-18-21)20-5-1-2-15(20)22/h3-4,6-7,10,12H,1-2,5,8-9H2
InChIKeyARQMRSPZGNHHIH-UHFFFAOYSA-N
XLogP2.12
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
CID 126945570
1-[1-(1-quinolin-4-ylpyrrolidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
CID 126948313
1-[1-(1-isoquinolin-1-ylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
CID 126945315
1-[1-[1-(1,2,5-thiadiazol-3-yl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945328
1-[1-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945517
1-[1-(1-methylsulfonylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
CID 126945248
1-[1-[1-(3-cyclopropylpyrazin-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948459
1-[1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948247
1-[1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945532
1-[1-[1-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948471
1-[1-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945584
1-[1-(1-thieno[3,2-d]pyrimidin-4-ylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
CID 126945353

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(3-chloro-4-pyridinyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[1-(3-chloro-4-pyridinyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one (CID 126945269) is 1-[1-[1-(3-chloro-4-pyridinyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[1-(3-chloro-4-pyridinyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[1-(3-chloro-4-pyridinyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one is O=C1CCCN1c1cnn(C2CN(c3ccncc3Cl)C2)c1.
What is the InChIKey of 1-[1-[1-(3-chloro-4-pyridinyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
The InChIKey is ARQMRSPZGNHHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O/c16-13-7-17-4-3-14(13)19-8-12(9-19)21-10-11(6-18-21)20-5-1-2-15(20)22/h3-4,6-7,10,12H,1-2,5,8-9H2.
What are the key properties of 1-[1-[1-(3-chloro-4-pyridinyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
1-[1-[1-(3-chloro-4-pyridinyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one has a molecular weight of 317.78 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(3-chloro-4-pyridinyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126945269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).