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

C11H17N5O2 — CID 116702488

IUPAC4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine
SMILESCCCC(OC)c1noc(-c2cnn(C)c2N)n1
InChIInChI=1S/C11H17N5O2/c1-4-5-8(17-3)10-14-11(18-15-10)7-6-13-16(2)9(7)12/h6,8H,4-5,12H2,1-3H3
InChIKeyQBAOJHIIQMVAJZ-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.54
Rot. Bonds5

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

4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine (PubChem CID 116702488) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine
PubChem CID116702488
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine
SMILESCCCC(OC)c1noc(-c2cnn(C)c2N)n1
InChIInChI=1S/C11H17N5O2/c1-4-5-8(17-3)10-14-11(18-15-10)7-6-13-16(2)9(7)12/h6,8H,4-5,12H2,1-3H3
InChIKeyQBAOJHIIQMVAJZ-UHFFFAOYSA-N
XLogP1.54
TPSA91.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine (CID 116702488) is 4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine is CCCC(OC)c1noc(-c2cnn(C)c2N)n1.
What is the InChIKey of 4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine?
The InChIKey is QBAOJHIIQMVAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-4-5-8(17-3)10-14-11(18-15-10)7-6-13-16(2)9(7)12/h6,8H,4-5,12H2,1-3H3.
What are the key properties of 4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine?
4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine has a molecular weight of 251.29 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 116702488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).