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

C11H17N5O — CID 62920645

IUPAC3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
SMILESCCC(N)(CC)c1noc(-c2ccnn2C)n1
InChIInChI=1S/C11H17N5O/c1-4-11(12,5-2)10-14-9(17-15-10)8-6-7-13-16(8)3/h6-7H,4-5,12H2,1-3H3
InChIKeyUIAGEKAZCRUHFM-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.44
Rot. Bonds4

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

3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine (PubChem CID 62920645) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine.

Molecular Properties

Compound Name3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
PubChem CID62920645
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
SMILESCCC(N)(CC)c1noc(-c2ccnn2C)n1
InChIInChI=1S/C11H17N5O/c1-4-11(12,5-2)10-14-9(17-15-10)8-6-7-13-16(8)3/h6-7H,4-5,12H2,1-3H3
InChIKeyUIAGEKAZCRUHFM-UHFFFAOYSA-N
XLogP1.44
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
The IUPAC name of 3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine (CID 62920645) is 3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine.
What is the SMILES notation for 3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
The canonical SMILES for 3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine is CCC(N)(CC)c1noc(-c2ccnn2C)n1.
What is the InChIKey of 3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
The InChIKey is UIAGEKAZCRUHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-4-11(12,5-2)10-14-9(17-15-10)8-6-7-13-16(8)3/h6-7H,4-5,12H2,1-3H3.
What are the key properties of 3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine has a molecular weight of 235.29 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine is sourced from PubChem (CID 62920645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).