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

C11H14BrN5O2 — CID 126947079

IUPAC5-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
SMILESCOCc1noc(N2CCC(n3cc(Br)cn3)C2)n1
InChIInChI=1S/C11H14BrN5O2/c1-18-7-10-14-11(19-15-10)16-3-2-9(6-16)17-5-8(12)4-13-17/h4-5,9H,2-3,6-7H2,1H3
InChIKeyQGYAYWQLYQSUBW-UHFFFAOYSA-N
MW328.17 g/mol
LogP1.63
Rot. Bonds4

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

5-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole (PubChem CID 126947079) has the molecular formula C11H14BrN5O2 and a molecular weight of 328.17 g/mol. Its IUPAC name is 5-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
PubChem CID126947079
Molecular FormulaC11H14BrN5O2
Molecular Weight328.17 g/mol
Exact Mass327.03
IUPAC Name5-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
SMILESCOCc1noc(N2CCC(n3cc(Br)cn3)C2)n1
InChIInChI=1S/C11H14BrN5O2/c1-18-7-10-14-11(19-15-10)16-3-2-9(6-16)17-5-8(12)4-13-17/h4-5,9H,2-3,6-7H2,1H3
InChIKeyQGYAYWQLYQSUBW-UHFFFAOYSA-N
XLogP1.63
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945531
2-(methoxymethyl)-4-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrimidine
CID 126947485
7-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126947093
2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-5-methylpyrimidine
CID 126947069
2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-6-fluoro-1,3-benzoxazole
CID 126947125
3-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-5-cyclobutyl-1,2,4-oxadiazole
CID 126946981
6-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137209351
N-cyclopropyl-N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126890717
[3-[[4-(4-bromopyrazol-1-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751885
4-(4-bromopyrazol-1-yl)-1-methylpiperidine
CID 59599418
4-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-2-methoxypyrimidine
CID 126946963
2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-1,3-thiazole
CID 126946853

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole (CID 126947079) is 5-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole is COCc1noc(N2CCC(n3cc(Br)cn3)C2)n1.
What is the InChIKey of 5-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole?
The InChIKey is QGYAYWQLYQSUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5O2/c1-18-7-10-14-11(19-15-10)16-3-2-9(6-16)17-5-8(12)4-13-17/h4-5,9H,2-3,6-7H2,1H3.
What are the key properties of 5-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole?
5-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole has a molecular weight of 328.17 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 126947079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).