(5-bromofuran-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone

C13H14BrN3O2 — CID 56824993

IUPAC(5-bromofuran-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCn1cc(C2CCCN2C(=O)c2coc(Br)c2)cn1
InChIInChI=1S/C13H14BrN3O2/c1-16-7-10(6-15-16)11-3-2-4-17(11)13(18)9-5-12(14)19-8-9/h5-8,11H,2-4H2,1H3
InChIKeyDPAABBAREIHRRC-UHFFFAOYSA-N
MW324.18 g/mol
LogP2.75
Rot. Bonds2

About (5-bromofuran-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone

(5-bromofuran-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 56824993) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is (5-bromofuran-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromofuran-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
PubChem CID56824993
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name(5-bromofuran-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCn1cc(C2CCCN2C(=O)c2coc(Br)c2)cn1
InChIInChI=1S/C13H14BrN3O2/c1-16-7-10(6-15-16)11-3-2-4-17(11)13(18)9-5-12(14)19-8-9/h5-8,11H,2-4H2,1H3
InChIKeyDPAABBAREIHRRC-UHFFFAOYSA-N
XLogP2.75
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethyl-2-pyridinyl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 136521822
[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 56801188
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 95569597
[4-(5-methylpyrazol-1-yl)phenyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95309281
1H-indol-6-yl-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95340715
(1,5-dimethylpyrazol-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 86888139
[4-(methoxymethyl)phenyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95322352
N-[[4-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenyl]methyl]acetamide
CID 56825059
[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 95752169
N-[[4-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenyl]methyl]acetamide
CID 95569536
(5-methyl-1H-pyrazol-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 56824930
(2-chloro-4-pyridinyl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
CID 154803735

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-bromofuran-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone (CID 56824993) is (5-bromofuran-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-bromofuran-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-bromofuran-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone is Cn1cc(C2CCCN2C(=O)c2coc(Br)c2)cn1.
What is the InChIKey of (5-bromofuran-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is DPAABBAREIHRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c1-16-7-10(6-15-16)11-3-2-4-17(11)13(18)9-5-12(14)19-8-9/h5-8,11H,2-4H2,1H3.
What are the key properties of (5-bromofuran-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
(5-bromofuran-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 324.18 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 56824993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).