1-[1-[1-(5-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one

C15H15BrN4O2S — CID 126945573

IUPAC1-[1-[1-(5-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
SMILESO=C(c1ccc(Br)s1)N1CC(n2cc(N3CCCC3=O)cn2)C1
InChIInChI=1S/C15H15BrN4O2S/c16-13-4-3-12(23-13)15(22)18-7-11(8-18)20-9-10(6-17-20)19-5-1-2-14(19)21/h3-4,6,9,11H,1-2,5,7-8H2
InChIKeyVNWLHFVXZYRAEO-UHFFFAOYSA-N
MW395.28 g/mol
LogP2.53
Rot. Bonds3

About 1-[1-[1-(5-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one

1-[1-[1-(5-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one (PubChem CID 126945573) has the molecular formula C15H15BrN4O2S and a molecular weight of 395.28 g/mol. Its IUPAC name is 1-[1-[1-(5-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[1-(5-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
PubChem CID126945573
Molecular FormulaC15H15BrN4O2S
Molecular Weight395.28 g/mol
Exact Mass394.01
IUPAC Name1-[1-[1-(5-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
SMILESO=C(c1ccc(Br)s1)N1CC(n2cc(N3CCCC3=O)cn2)C1
InChIInChI=1S/C15H15BrN4O2S/c16-13-4-3-12(23-13)15(22)18-7-11(8-18)20-9-10(6-17-20)19-5-1-2-14(19)21/h3-4,6,9,11H,1-2,5,7-8H2
InChIKeyVNWLHFVXZYRAEO-UHFFFAOYSA-N
XLogP2.53
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.28
LogP ≤ 52.53
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]-3-methylimidazolidin-2-one
CID 126946284
1-[1-[1-(4-bromothiophene-2-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948496
1-[1-[1-[2-(trifluoromethyl)benzoyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945566
1-[1-[1-(1H-imidazole-5-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945209
1-[1-[1-(2-methyl-1,3-thiazole-4-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945193
1-[1-[1-(4-methyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945205
1-[1-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945176
1-[1-[1-(2-methyl-1,3-oxazole-4-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945247
1-methyl-3-[1-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126946004
1-[1-[1-(1H-indole-6-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945200
1-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
CID 126945570
1-[1-[1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945180

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(5-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[1-(5-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one (CID 126945573) is 1-[1-[1-(5-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[1-(5-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[1-(5-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one is O=C(c1ccc(Br)s1)N1CC(n2cc(N3CCCC3=O)cn2)C1.
What is the InChIKey of 1-[1-[1-(5-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
The InChIKey is VNWLHFVXZYRAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O2S/c16-13-4-3-12(23-13)15(22)18-7-11(8-18)20-9-10(6-17-20)19-5-1-2-14(19)21/h3-4,6,9,11H,1-2,5,7-8H2.
What are the key properties of 1-[1-[1-(5-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
1-[1-[1-(5-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one has a molecular weight of 395.28 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(5-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126945573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).