1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine

C10H9N5OS — CID 61284572

IUPAC1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine
SMILESNc1cnn(Cc2nc(-c3ccsc3)no2)c1
InChIInChI=1S/C10H9N5OS/c11-8-3-12-15(4-8)5-9-13-10(14-16-9)7-1-2-17-6-7/h1-4,6H,5,11H2
InChIKeyLMRDXSVKQBTQIQ-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.63
Rot. Bonds3

About 1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine

1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine (PubChem CID 61284572) has the molecular formula C10H9N5OS and a molecular weight of 247.28 g/mol. Its IUPAC name is 1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine
PubChem CID61284572
Molecular FormulaC10H9N5OS
Molecular Weight247.28 g/mol
Exact Mass247.05
IUPAC Name1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine
SMILESNc1cnn(Cc2nc(-c3ccsc3)no2)c1
InChIInChI=1S/C10H9N5OS/c11-8-3-12-15(4-8)5-9-13-10(14-16-9)7-1-2-17-6-7/h1-4,6H,5,11H2
InChIKeyLMRDXSVKQBTQIQ-UHFFFAOYSA-N
XLogP1.63
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-[(4-aminopyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136889011
1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 55103645
4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline
CID 54908982
1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid
CID 62059910
5-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine
CID 79542300
N-[[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methyl]propan-2-amine
CID 66193953
1-[[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 107280048
5-ethyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine
CID 79541947
5-(2-chloroethyl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 43627759
3-[5-[(4-aminopyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylbenzenesulfonamide
CID 167889181
2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol
CID 47010444
1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 62717203

Frequently Asked Questions

What is the IUPAC name of 1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine (CID 61284572) is 1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine is Nc1cnn(Cc2nc(-c3ccsc3)no2)c1.
What is the InChIKey of 1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine?
The InChIKey is LMRDXSVKQBTQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5OS/c11-8-3-12-15(4-8)5-9-13-10(14-16-9)7-1-2-17-6-7/h1-4,6H,5,11H2.
What are the key properties of 1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine?
1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine has a molecular weight of 247.28 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 61284572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).