1-[1-[1-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one

C17H23N7O — CID 126948471

IUPAC1-[1-[1-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
SMILESCN(C)c1nccc(N2CCC(n3cc(N4CCCC4=O)cn3)C2)n1
InChIInChI=1S/C17H23N7O/c1-21(2)17-18-7-5-15(20-17)22-9-6-13(11-22)24-12-14(10-19-24)23-8-3-4-16(23)25/h5,7,10,12-13H,3-4,6,8-9,11H2,1-2H3
InChIKeyLEASVLLEIUHKRW-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.32
Rot. Bonds4

About 1-[1-[1-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one

1-[1-[1-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one (PubChem CID 126948471) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-[1-[1-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[1-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
PubChem CID126948471
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name1-[1-[1-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
SMILESCN(C)c1nccc(N2CCC(n3cc(N4CCCC4=O)cn3)C2)n1
InChIInChI=1S/C17H23N7O/c1-21(2)17-18-7-5-15(20-17)22-9-6-13(11-22)24-12-14(10-19-24)23-8-3-4-16(23)25/h5,7,10,12-13H,3-4,6,8-9,11H2,1-2H3
InChIKeyLEASVLLEIUHKRW-UHFFFAOYSA-N
XLogP1.32
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[1-[1-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[1-[1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948295
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-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-(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-methylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
CID 126945570
1-[1-[1-(1,2,5-thiadiazol-3-yl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945328
1-methyl-3-[1-[1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126948789
1-[1-[1-(5-fluoro-1,3-benzoxazol-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948518
1-[1-[1-(3-chloro-4-pyridinyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945269

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[1-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one (CID 126948471) is 1-[1-[1-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[1-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[1-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one is CN(C)c1nccc(N2CCC(n3cc(N4CCCC4=O)cn3)C2)n1.
What is the InChIKey of 1-[1-[1-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
The InChIKey is LEASVLLEIUHKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-21(2)17-18-7-5-15(20-17)22-9-6-13(11-22)24-12-14(10-19-24)23-8-3-4-16(23)25/h5,7,10,12-13H,3-4,6,8-9,11H2,1-2H3.
What are the key properties of 1-[1-[1-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
1-[1-[1-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one has a molecular weight of 341.42 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126948471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).