1-[1-(1-quinolin-4-ylpyrrolidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one

C20H21N5O — CID 126948313

IUPAC1-[1-(1-quinolin-4-ylpyrrolidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cnn(C2CCN(c3ccnc4ccccc34)C2)c1
InChIInChI=1S/C20H21N5O/c26-20-6-3-10-24(20)16-12-22-25(14-16)15-8-11-23(13-15)19-7-9-21-18-5-2-1-4-17(18)19/h1-2,4-5,7,9,12,14-15H,3,6,8,10-11,13H2
InChIKeyJTKBBVAWGYRPTD-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.01
Rot. Bonds3

About 1-[1-(1-quinolin-4-ylpyrrolidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one

1-[1-(1-quinolin-4-ylpyrrolidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one (PubChem CID 126948313) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[1-(1-quinolin-4-ylpyrrolidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(1-quinolin-4-ylpyrrolidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
PubChem CID126948313
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name1-[1-(1-quinolin-4-ylpyrrolidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cnn(C2CCN(c3ccnc4ccccc34)C2)c1
InChIInChI=1S/C20H21N5O/c26-20-6-3-10-24(20)16-12-22-25(14-16)15-8-11-23(13-15)19-7-9-21-18-5-2-1-4-17(18)19/h1-2,4-5,7,9,12,14-15H,3,6,8,10-11,13H2
InChIKeyJTKBBVAWGYRPTD-UHFFFAOYSA-N
XLogP3.01
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(1-isoquinolin-1-ylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
CID 126945315
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-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948471
1-[1-[1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948295
1-[1-[1-(3-chloro-4-pyridinyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945269
1-[1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948474
1-[1-(1-propan-2-ylpyrrolidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
CID 126948262
1-[1-[1-(5-fluoro-1,3-benzoxazol-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948518
1-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
CID 126945570
1-[1-[1-(1-methylindazole-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948210
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-quinolin-4-ylpyrrolidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-(1-quinolin-4-ylpyrrolidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one (CID 126948313) is 1-[1-(1-quinolin-4-ylpyrrolidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(1-quinolin-4-ylpyrrolidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-(1-quinolin-4-ylpyrrolidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one is O=C1CCCN1c1cnn(C2CCN(c3ccnc4ccccc34)C2)c1.
What is the InChIKey of 1-[1-(1-quinolin-4-ylpyrrolidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one?
The InChIKey is JTKBBVAWGYRPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c26-20-6-3-10-24(20)16-12-22-25(14-16)15-8-11-23(13-15)19-7-9-21-18-5-2-1-4-17(18)19/h1-2,4-5,7,9,12,14-15H,3,6,8,10-11,13H2.
What are the key properties of 1-[1-(1-quinolin-4-ylpyrrolidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one?
1-[1-(1-quinolin-4-ylpyrrolidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one has a molecular weight of 347.42 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-quinolin-4-ylpyrrolidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126948313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).