3-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-5-cyclobutyl-1,2,4-oxadiazole

C14H18BrN5O — CID 126946981

IUPAC3-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-5-cyclobutyl-1,2,4-oxadiazole
SMILESBrc1cnn(C2CCN(Cc3noc(C4CCC4)n3)C2)c1
InChIInChI=1S/C14H18BrN5O/c15-11-6-16-20(7-11)12-4-5-19(8-12)9-13-17-14(21-18-13)10-2-1-3-10/h6-7,10,12H,1-5,8-9H2
InChIKeyDTPGSEXMIOKJGV-UHFFFAOYSA-N
MW352.24 g/mol
LogP2.74
Rot. Bonds4

About 3-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-5-cyclobutyl-1,2,4-oxadiazole

3-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-5-cyclobutyl-1,2,4-oxadiazole (PubChem CID 126946981) has the molecular formula C14H18BrN5O and a molecular weight of 352.24 g/mol. Its IUPAC name is 3-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-5-cyclobutyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-5-cyclobutyl-1,2,4-oxadiazole
PubChem CID126946981
Molecular FormulaC14H18BrN5O
Molecular Weight352.24 g/mol
Exact Mass351.07
IUPAC Name3-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-5-cyclobutyl-1,2,4-oxadiazole
SMILESBrc1cnn(C2CCN(Cc3noc(C4CCC4)n3)C2)c1
InChIInChI=1S/C14H18BrN5O/c15-11-6-16-20(7-11)12-4-5-19(8-12)9-13-17-14(21-18-13)10-2-1-3-10/h6-7,10,12H,1-5,8-9H2
InChIKeyDTPGSEXMIOKJGV-UHFFFAOYSA-N
XLogP2.74
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-5-cyclobutyl-1,2,4-oxadiazole with MolForge

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Related Compounds

[3-[[4-(4-bromopyrazol-1-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751885
3-[(4-bromopyrazol-1-yl)methyl]-5-cyclopropyl-1,2,4-oxadiazole
CID 61495208
5-cyclopropyl-3-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole
CID 56781190
[3-[[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752882
4-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-1,2-thiazole
CID 126947018
2-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
CID 126946939
4-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]pyrimidine
CID 126946968
3-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole
CID 126947027
5-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 126947079
[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methanol
CID 62372084
(3S,4R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 115278431
4-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-2-methoxypyrimidine
CID 126946963

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-5-cyclobutyl-1,2,4-oxadiazole?
The IUPAC name of 3-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-5-cyclobutyl-1,2,4-oxadiazole (CID 126946981) is 3-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-5-cyclobutyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-5-cyclobutyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-5-cyclobutyl-1,2,4-oxadiazole is Brc1cnn(C2CCN(Cc3noc(C4CCC4)n3)C2)c1.
What is the InChIKey of 3-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-5-cyclobutyl-1,2,4-oxadiazole?
The InChIKey is DTPGSEXMIOKJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN5O/c15-11-6-16-20(7-11)12-4-5-19(8-12)9-13-17-14(21-18-13)10-2-1-3-10/h6-7,10,12H,1-5,8-9H2.
What are the key properties of 3-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-5-cyclobutyl-1,2,4-oxadiazole?
3-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-5-cyclobutyl-1,2,4-oxadiazole has a molecular weight of 352.24 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-5-cyclobutyl-1,2,4-oxadiazole is sourced from PubChem (CID 126946981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).