1-[1-(5-thiophen-3-yl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one

C17H20N4O2S — CID 126785121

IUPAC1-[1-(5-thiophen-3-yl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one
SMILESO=C(c1cn[nH]c1-c1ccsc1)N1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C17H20N4O2S/c22-15-2-1-6-21(15)13-3-7-20(8-4-13)17(23)14-10-18-19-16(14)12-5-9-24-11-12/h5,9-11,13H,1-4,6-8H2,(H,18,19)
InChIKeyKYKUYZYQOPCASS-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.37
Rot. Bonds3

About 1-[1-(5-thiophen-3-yl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one

1-[1-(5-thiophen-3-yl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one (PubChem CID 126785121) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-[1-(5-thiophen-3-yl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(5-thiophen-3-yl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one
PubChem CID126785121
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name1-[1-(5-thiophen-3-yl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one
SMILESO=C(c1cn[nH]c1-c1ccsc1)N1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C17H20N4O2S/c22-15-2-1-6-21(15)13-3-7-20(8-4-13)17(23)14-10-18-19-16(14)12-5-9-24-11-12/h5,9-11,13H,1-4,6-8H2,(H,18,19)
InChIKeyKYKUYZYQOPCASS-UHFFFAOYSA-N
XLogP2.37
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(5-thiophen-3-yl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one with MolForge

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Related Compounds

(4-phenoxypiperidin-1-yl)-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone
CID 126778716
[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone
CID 126773802
(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone
CID 136565975
1-[1-(1H-indole-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one
CID 126855908
2-amino-7-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137223297
(4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone;hydrochloride
CID 119376653
1-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one
CID 126899312
[(3R)-thiolan-3-yl] 5-thiophen-3-yl-1H-pyrazole-4-carboxylate
CID 99856867
[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-piperidin-1-ylmethanone
CID 17424319
(4-methylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 60712084
[(3S)-3-hydroxypyrrolidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 79030002
1-[1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one
CID 84589335

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-thiophen-3-yl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-(5-thiophen-3-yl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one (CID 126785121) is 1-[1-(5-thiophen-3-yl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(5-thiophen-3-yl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-(5-thiophen-3-yl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one is O=C(c1cn[nH]c1-c1ccsc1)N1CCC(N2CCCC2=O)CC1.
What is the InChIKey of 1-[1-(5-thiophen-3-yl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is KYKUYZYQOPCASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c22-15-2-1-6-21(15)13-3-7-20(8-4-13)17(23)14-10-18-19-16(14)12-5-9-24-11-12/h5,9-11,13H,1-4,6-8H2,(H,18,19).
What are the key properties of 1-[1-(5-thiophen-3-yl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one?
1-[1-(5-thiophen-3-yl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 344.44 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-thiophen-3-yl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126785121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).