3,5-bis(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole

C10H10N6O — CID 155963709

IUPAC3,5-bis(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
SMILESCc1cc(-c2noc(-c3cc(C)[nH]n3)n2)n[nH]1
InChIInChI=1S/C10H10N6O/c1-5-3-7(14-12-5)9-11-10(17-16-9)8-4-6(2)13-15-8/h3-4H,1-2H3,(H,12,14)(H,13,15)
InChIKeyYXXAATFUXQXQCF-UHFFFAOYSA-N
MW230.23 g/mol
LogP1.47
Rot. Bonds2

About 3,5-bis(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole

3,5-bis(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole (PubChem CID 155963709) has the molecular formula C10H10N6O and a molecular weight of 230.23 g/mol. Its IUPAC name is 3,5-bis(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3,5-bis(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
PubChem CID155963709
Molecular FormulaC10H10N6O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name3,5-bis(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
SMILESCc1cc(-c2noc(-c3cc(C)[nH]n3)n2)n[nH]1
InChIInChI=1S/C10H10N6O/c1-5-3-7(14-12-5)9-11-10(17-16-9)8-4-6(2)13-15-8/h3-4H,1-2H3,(H,12,14)(H,13,15)
InChIKeyYXXAATFUXQXQCF-UHFFFAOYSA-N
XLogP1.47
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 16956622
5-(5-methyl-1H-pyrazol-3-yl)-3-propyl-1,2,4-oxadiazole
CID 94069253
3-(3-fluorophenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 94069286
3-(2-ethoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 94069225
N-[[4-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-propan-2-ylpropan-2-amine
CID 58538793
5-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]-3-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 166321573
3-(1-methoxybutyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 154760139
5-[1-(2,4-difluorophenyl)cyclobutyl]-3-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 167956015
5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 42585031
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridazin-6-one
CID 94069176
4-methyl-2-(4-methylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine
CID 135251507
5-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 53022151

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3,5-bis(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole (CID 155963709) is 3,5-bis(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3,5-bis(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3,5-bis(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole is Cc1cc(-c2noc(-c3cc(C)[nH]n3)n2)n[nH]1.
What is the InChIKey of 3,5-bis(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
The InChIKey is YXXAATFUXQXQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O/c1-5-3-7(14-12-5)9-11-10(17-16-9)8-4-6(2)13-15-8/h3-4H,1-2H3,(H,12,14)(H,13,15).
What are the key properties of 3,5-bis(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
3,5-bis(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole has a molecular weight of 230.23 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 155963709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).