3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine

C11H15N5O — CID 66030802

IUPAC3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESCn1ccc(-c2noc(C3CCC(N)C3)n2)n1
InChIInChI=1S/C11H15N5O/c1-16-5-4-9(14-16)10-13-11(17-15-10)7-2-3-8(12)6-7/h4-5,7-8H,2-3,6,12H2,1H3
InChIKeyOJPZIAAIZIWPGK-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.06
Rot. Bonds2

About 3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine

3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (PubChem CID 66030802) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
PubChem CID66030802
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESCn1ccc(-c2noc(C3CCC(N)C3)n2)n1
InChIInChI=1S/C11H15N5O/c1-16-5-4-9(14-16)10-13-11(17-15-10)7-2-3-8(12)6-7/h4-5,7-8H,2-3,6,12H2,1H3
InChIKeyOJPZIAAIZIWPGK-UHFFFAOYSA-N
XLogP1.06
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The IUPAC name of 3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (CID 66030802) is 3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.
What is the SMILES notation for 3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The canonical SMILES for 3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is Cn1ccc(-c2noc(C3CCC(N)C3)n2)n1.
What is the InChIKey of 3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The InChIKey is OJPZIAAIZIWPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-16-5-4-9(14-16)10-13-11(17-15-10)7-2-3-8(12)6-7/h4-5,7-8H,2-3,6,12H2,1H3.
What are the key properties of 3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine has a molecular weight of 233.27 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is sourced from PubChem (CID 66030802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).