(5R)-5-[(4-bromopyrazol-1-yl)methyl]pyrrolidin-2-one

C8H10BrN3O — CID 138553889

IUPAC(5R)-5-[(4-bromopyrazol-1-yl)methyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](Cn2cc(Br)cn2)N1
InChIInChI=1S/C8H10BrN3O/c9-6-3-10-12(4-6)5-7-1-2-8(13)11-7/h3-4,7H,1-2,5H2,(H,11,13)/t7-/m1/s1
InChIKeyWQSYDKXWFDWONM-SSDOTTSWSA-N
MW244.09 g/mol
LogP0.92
Rot. Bonds2

About (5R)-5-[(4-bromopyrazol-1-yl)methyl]pyrrolidin-2-one

(5R)-5-[(4-bromopyrazol-1-yl)methyl]pyrrolidin-2-one (PubChem CID 138553889) has the molecular formula C8H10BrN3O and a molecular weight of 244.09 g/mol. Its IUPAC name is (5R)-5-[(4-bromopyrazol-1-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[(4-bromopyrazol-1-yl)methyl]pyrrolidin-2-one
PubChem CID138553889
Molecular FormulaC8H10BrN3O
Molecular Weight244.09 g/mol
Exact Mass243.00
IUPAC Name(5R)-5-[(4-bromopyrazol-1-yl)methyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](Cn2cc(Br)cn2)N1
InChIInChI=1S/C8H10BrN3O/c9-6-3-10-12(4-6)5-7-1-2-8(13)11-7/h3-4,7H,1-2,5H2,(H,11,13)/t7-/m1/s1
InChIKeyWQSYDKXWFDWONM-SSDOTTSWSA-N
XLogP0.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(4-bromopyrazol-1-yl)methyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[(4-bromopyrazol-1-yl)methyl]pyrrolidin-2-one (CID 138553889) is (5R)-5-[(4-bromopyrazol-1-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[(4-bromopyrazol-1-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[(4-bromopyrazol-1-yl)methyl]pyrrolidin-2-one is O=C1CC[C@H](Cn2cc(Br)cn2)N1.
What is the InChIKey of (5R)-5-[(4-bromopyrazol-1-yl)methyl]pyrrolidin-2-one?
The InChIKey is WQSYDKXWFDWONM-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H10BrN3O/c9-6-3-10-12(4-6)5-7-1-2-8(13)11-7/h3-4,7H,1-2,5H2,(H,11,13)/t7-/m1/s1.
What are the key properties of (5R)-5-[(4-bromopyrazol-1-yl)methyl]pyrrolidin-2-one?
(5R)-5-[(4-bromopyrazol-1-yl)methyl]pyrrolidin-2-one has a molecular weight of 244.09 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(4-bromopyrazol-1-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 138553889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).