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

C13H17N7O — CID 19554452

IUPAC3-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrazol-4-amine
SMILESCc1cc(C)n(CCc2nnc(-c3nn(C)cc3N)o2)n1
InChIInChI=1S/C13H17N7O/c1-8-6-9(2)20(17-8)5-4-11-15-16-13(21-11)12-10(14)7-19(3)18-12/h6-7H,4-5,14H2,1-3H3
InChIKeyVVYVGDQFZDVDRZ-UHFFFAOYSA-N
MW287.33 g/mol
LogP1.11
Rot. Bonds4

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

3-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrazol-4-amine (PubChem CID 19554452) has the molecular formula C13H17N7O and a molecular weight of 287.33 g/mol. Its IUPAC name is 3-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name3-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrazol-4-amine
PubChem CID19554452
Molecular FormulaC13H17N7O
Molecular Weight287.33 g/mol
Exact Mass287.15
IUPAC Name3-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrazol-4-amine
SMILESCc1cc(C)n(CCc2nnc(-c3nn(C)cc3N)o2)n1
InChIInChI=1S/C13H17N7O/c1-8-6-9(2)20(17-8)5-4-11-15-16-13(21-11)12-10(14)7-19(3)18-12/h6-7H,4-5,14H2,1-3H3
InChIKeyVVYVGDQFZDVDRZ-UHFFFAOYSA-N
XLogP1.11
TPSA100.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrazol-4-amine?
The IUPAC name of 3-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrazol-4-amine (CID 19554452) is 3-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrazol-4-amine.
What is the SMILES notation for 3-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrazol-4-amine?
The canonical SMILES for 3-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrazol-4-amine is Cc1cc(C)n(CCc2nnc(-c3nn(C)cc3N)o2)n1.
What is the InChIKey of 3-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrazol-4-amine?
The InChIKey is VVYVGDQFZDVDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7O/c1-8-6-9(2)20(17-8)5-4-11-15-16-13(21-11)12-10(14)7-19(3)18-12/h6-7H,4-5,14H2,1-3H3.
What are the key properties of 3-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrazol-4-amine?
3-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrazol-4-amine has a molecular weight of 287.33 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrazol-4-amine is sourced from PubChem (CID 19554452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).