1-[1-[1-(4-bromothiophene-2-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one

C16H17BrN4O2S — CID 126948496

IUPAC1-[1-[1-(4-bromothiophene-2-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
SMILESO=C(c1cc(Br)cs1)N1CCC(n2cc(N3CCCC3=O)cn2)C1
InChIInChI=1S/C16H17BrN4O2S/c17-11-6-14(24-10-11)16(23)19-5-3-12(8-19)21-9-13(7-18-21)20-4-1-2-15(20)22/h6-7,9-10,12H,1-5,8H2
InChIKeyUFWBPMFNVWZLJO-UHFFFAOYSA-N
MW409.31 g/mol
LogP2.92
Rot. Bonds3

About 1-[1-[1-(4-bromothiophene-2-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one

1-[1-[1-(4-bromothiophene-2-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one (PubChem CID 126948496) has the molecular formula C16H17BrN4O2S and a molecular weight of 409.31 g/mol. Its IUPAC name is 1-[1-[1-(4-bromothiophene-2-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[1-(4-bromothiophene-2-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
PubChem CID126948496
Molecular FormulaC16H17BrN4O2S
Molecular Weight409.31 g/mol
Exact Mass408.03
IUPAC Name1-[1-[1-(4-bromothiophene-2-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
SMILESO=C(c1cc(Br)cs1)N1CCC(n2cc(N3CCCC3=O)cn2)C1
InChIInChI=1S/C16H17BrN4O2S/c17-11-6-14(24-10-11)16(23)19-5-3-12(8-19)21-9-13(7-18-21)20-4-1-2-15(20)22/h6-7,9-10,12H,1-5,8H2
InChIKeyUFWBPMFNVWZLJO-UHFFFAOYSA-N
XLogP2.92
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.31
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[1-(5-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945573
1-[1-[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948156
1-[1-[1-(2,5-dimethylpyrazole-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948200
1-[1-[1-(1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948144
3-[4-(2-oxopyrrolidin-1-yl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 126948219
1-[1-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948169
1-[1-[1-(2-methyl-1,3-thiazole-4-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945193
1-[1-[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948191
1-[1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948247
1-[1-(4-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazole-4-carboxamide
CID 126901123
1-[1-[1-(1-methylindazole-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948210
1-[1-[1-(4-methyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945205

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(4-bromothiophene-2-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[1-(4-bromothiophene-2-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one (CID 126948496) is 1-[1-[1-(4-bromothiophene-2-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[1-(4-bromothiophene-2-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[1-(4-bromothiophene-2-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one is O=C(c1cc(Br)cs1)N1CCC(n2cc(N3CCCC3=O)cn2)C1.
What is the InChIKey of 1-[1-[1-(4-bromothiophene-2-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
The InChIKey is UFWBPMFNVWZLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4O2S/c17-11-6-14(24-10-11)16(23)19-5-3-12(8-19)21-9-13(7-18-21)20-4-1-2-15(20)22/h6-7,9-10,12H,1-5,8H2.
What are the key properties of 1-[1-[1-(4-bromothiophene-2-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
1-[1-[1-(4-bromothiophene-2-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one has a molecular weight of 409.31 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(4-bromothiophene-2-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126948496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).