3-chloro-4-(1-propan-2-ylpyrazol-4-yl)oxy-1,2,5-thiadiazole

C8H9ClN4OS — CID 116801122

IUPAC3-chloro-4-(1-propan-2-ylpyrazol-4-yl)oxy-1,2,5-thiadiazole
SMILESCC(C)n1cc(Oc2nsnc2Cl)cn1
InChIInChI=1S/C8H9ClN4OS/c1-5(2)13-4-6(3-10-13)14-8-7(9)11-15-12-8/h3-5H,1-2H3
InChIKeyZUGICHMULMGEAZ-UHFFFAOYSA-N
MW244.71 g/mol
LogP2.76
Rot. Bonds3

About 3-chloro-4-(1-propan-2-ylpyrazol-4-yl)oxy-1,2,5-thiadiazole

3-chloro-4-(1-propan-2-ylpyrazol-4-yl)oxy-1,2,5-thiadiazole (PubChem CID 116801122) has the molecular formula C8H9ClN4OS and a molecular weight of 244.71 g/mol. Its IUPAC name is 3-chloro-4-(1-propan-2-ylpyrazol-4-yl)oxy-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-chloro-4-(1-propan-2-ylpyrazol-4-yl)oxy-1,2,5-thiadiazole
PubChem CID116801122
Molecular FormulaC8H9ClN4OS
Molecular Weight244.71 g/mol
Exact Mass244.02
IUPAC Name3-chloro-4-(1-propan-2-ylpyrazol-4-yl)oxy-1,2,5-thiadiazole
SMILESCC(C)n1cc(Oc2nsnc2Cl)cn1
InChIInChI=1S/C8H9ClN4OS/c1-5(2)13-4-6(3-10-13)14-8-7(9)11-15-12-8/h3-5H,1-2H3
InChIKeyZUGICHMULMGEAZ-UHFFFAOYSA-N
XLogP2.76
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.71
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dichloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3,5-triazine
CID 116801169
3,6-dichloro-4-(1-propan-2-ylpyrazol-4-yl)oxypyridazine
CID 116801133
3-(1-propan-2-ylpyrazol-4-yl)oxypyrazin-2-amine
CID 102988441
[5-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methanamine
CID 116803066
3-(chloromethyl)-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine
CID 116802722
3-chloro-4-(4-chloro-3,5-dimethylphenoxy)-1,2,5-thiadiazole
CID 61057608
5-methoxy-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-4-amine
CID 116806629
4-ethoxy-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-5-amine
CID 116800587
3-chloro-4-(3-methyl-4-propan-2-ylphenoxy)-1,2,5-thiadiazole
CID 63506599
[5-methyl-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-4-yl]hydrazine
CID 116806942
4-[2-(bromomethyl)-6-chlorophenoxy]-1-propan-2-ylpyrazole
CID 114068060
[5-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-2-yl]hydrazine
CID 116806928

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(1-propan-2-ylpyrazol-4-yl)oxy-1,2,5-thiadiazole?
The IUPAC name of 3-chloro-4-(1-propan-2-ylpyrazol-4-yl)oxy-1,2,5-thiadiazole (CID 116801122) is 3-chloro-4-(1-propan-2-ylpyrazol-4-yl)oxy-1,2,5-thiadiazole.
What is the SMILES notation for 3-chloro-4-(1-propan-2-ylpyrazol-4-yl)oxy-1,2,5-thiadiazole?
The canonical SMILES for 3-chloro-4-(1-propan-2-ylpyrazol-4-yl)oxy-1,2,5-thiadiazole is CC(C)n1cc(Oc2nsnc2Cl)cn1.
What is the InChIKey of 3-chloro-4-(1-propan-2-ylpyrazol-4-yl)oxy-1,2,5-thiadiazole?
The InChIKey is ZUGICHMULMGEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4OS/c1-5(2)13-4-6(3-10-13)14-8-7(9)11-15-12-8/h3-5H,1-2H3.
What are the key properties of 3-chloro-4-(1-propan-2-ylpyrazol-4-yl)oxy-1,2,5-thiadiazole?
3-chloro-4-(1-propan-2-ylpyrazol-4-yl)oxy-1,2,5-thiadiazole has a molecular weight of 244.71 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(1-propan-2-ylpyrazol-4-yl)oxy-1,2,5-thiadiazole is sourced from PubChem (CID 116801122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).