5-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]-3-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole

C13H9ClN6OS — CID 166321573

IUPAC5-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]-3-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
SMILESCc1cc(-c2noc(-c3cn[nH]c3-c3ccc(Cl)s3)n2)n[nH]1
InChIInChI=1S/C13H9ClN6OS/c1-6-4-8(18-17-6)12-16-13(21-20-12)7-5-15-19-11(7)9-2-3-10(14)22-9/h2-5H,1H3,(H,15,19)(H,17,18)
InChIKeyUYDYSFJRAHLTCM-UHFFFAOYSA-N
MW332.78 g/mol
LogP3.54
Rot. Bonds3

About 5-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]-3-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole

5-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]-3-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole (PubChem CID 166321573) has the molecular formula C13H9ClN6OS and a molecular weight of 332.78 g/mol. Its IUPAC name is 5-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]-3-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]-3-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
PubChem CID166321573
Molecular FormulaC13H9ClN6OS
Molecular Weight332.78 g/mol
Exact Mass332.02
IUPAC Name5-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]-3-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
SMILESCc1cc(-c2noc(-c3cn[nH]c3-c3ccc(Cl)s3)n2)n[nH]1
InChIInChI=1S/C13H9ClN6OS/c1-6-4-8(18-17-6)12-16-13(21-20-12)7-5-15-19-11(7)9-2-3-10(14)22-9/h2-5H,1H3,(H,15,19)(H,17,18)
InChIKeyUYDYSFJRAHLTCM-UHFFFAOYSA-N
XLogP3.54
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.78
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]-3-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]-3-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole (CID 166321573) is 5-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]-3-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]-3-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]-3-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole is Cc1cc(-c2noc(-c3cn[nH]c3-c3ccc(Cl)s3)n2)n[nH]1.
What is the InChIKey of 5-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]-3-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
The InChIKey is UYDYSFJRAHLTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN6OS/c1-6-4-8(18-17-6)12-16-13(21-20-12)7-5-15-19-11(7)9-2-3-10(14)22-9/h2-5H,1H3,(H,15,19)(H,17,18).
What are the key properties of 5-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]-3-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
5-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]-3-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole has a molecular weight of 332.78 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]-3-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 166321573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).