[5-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine

C12H17N5OS — CID 102629971

IUPAC[5-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(SCc2ccn(C3CCCC3)n2)o1
InChIInChI=1S/C12H17N5OS/c13-7-11-14-15-12(18-11)19-8-9-5-6-17(16-9)10-3-1-2-4-10/h5-6,10H,1-4,7-8,13H2
InChIKeyUHVHVKFBAWLUDY-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.13
Rot. Bonds5

About [5-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine

[5-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 102629971) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is [5-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID102629971
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name[5-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(SCc2ccn(C3CCCC3)n2)o1
InChIInChI=1S/C12H17N5OS/c13-7-11-14-15-12(18-11)19-8-9-5-6-17(16-9)10-3-1-2-4-10/h5-6,10H,1-4,7-8,13H2
InChIKeyUHVHVKFBAWLUDY-UHFFFAOYSA-N
XLogP2.13
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine (CID 102629971) is [5-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine is NCc1nnc(SCc2ccn(C3CCCC3)n2)o1.
What is the InChIKey of [5-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is UHVHVKFBAWLUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c13-7-11-14-15-12(18-11)19-8-9-5-6-17(16-9)10-3-1-2-4-10/h5-6,10H,1-4,7-8,13H2.
What are the key properties of [5-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine?
[5-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 279.37 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 102629971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).