3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-cyclopropyl-1,2,4-oxadiazole

C11H13BrN4O — CID 62129263

IUPAC3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-cyclopropyl-1,2,4-oxadiazole
SMILESCc1nn(Cc2noc(C3CC3)n2)c(C)c1Br
InChIInChI=1S/C11H13BrN4O/c1-6-10(12)7(2)16(14-6)5-9-13-11(17-15-9)8-3-4-8/h8H,3-5H2,1-2H3
InChIKeyAEIYPQUACQPROU-UHFFFAOYSA-N
MW297.16 g/mol
LogP2.57
Rot. Bonds3

About 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-cyclopropyl-1,2,4-oxadiazole

3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-cyclopropyl-1,2,4-oxadiazole (PubChem CID 62129263) has the molecular formula C11H13BrN4O and a molecular weight of 297.16 g/mol. Its IUPAC name is 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-cyclopropyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-cyclopropyl-1,2,4-oxadiazole
PubChem CID62129263
Molecular FormulaC11H13BrN4O
Molecular Weight297.16 g/mol
Exact Mass296.03
IUPAC Name3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-cyclopropyl-1,2,4-oxadiazole
SMILESCc1nn(Cc2noc(C3CC3)n2)c(C)c1Br
InChIInChI=1S/C11H13BrN4O/c1-6-10(12)7(2)16(14-6)5-9-13-11(17-15-9)8-3-4-8/h8H,3-5H2,1-2H3
InChIKeyAEIYPQUACQPROU-UHFFFAOYSA-N
XLogP2.57
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 61495486
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-one
CID 99836476
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
CID 55038851
5-bromo-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyridin-2-one
CID 81422093
3-[(4-bromopyrazol-1-yl)methyl]-5-cyclopropyl-1,2,4-oxadiazole
CID 61495208
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-1,2,4-oxadiazole
CID 167874709
5-bromo-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one
CID 66309150
(3S,4R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 115278431
2-[[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carbonyl]amino]ethyl-diethylazanium
CID 7353069
3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide
CID 17083026
5-cyclopropyl-3-(cyclopropylmethyl)-1,2,4-oxadiazole
CID 130718798
3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-phenylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 5297983

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-cyclopropyl-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-cyclopropyl-1,2,4-oxadiazole (CID 62129263) is 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-cyclopropyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-cyclopropyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-cyclopropyl-1,2,4-oxadiazole is Cc1nn(Cc2noc(C3CC3)n2)c(C)c1Br.
What is the InChIKey of 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-cyclopropyl-1,2,4-oxadiazole?
The InChIKey is AEIYPQUACQPROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O/c1-6-10(12)7(2)16(14-6)5-9-13-11(17-15-9)8-3-4-8/h8H,3-5H2,1-2H3.
What are the key properties of 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-cyclopropyl-1,2,4-oxadiazole?
3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-cyclopropyl-1,2,4-oxadiazole has a molecular weight of 297.16 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-cyclopropyl-1,2,4-oxadiazole is sourced from PubChem (CID 62129263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).