5-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine

C9H9N7O — CID 82896370

IUPAC5-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
SMILESCn1cncc1-c1noc(-c2cc(N)n[nH]2)n1
InChIInChI=1S/C9H9N7O/c1-16-4-11-3-6(16)8-12-9(17-15-8)5-2-7(10)14-13-5/h2-4H,1H3,(H3,10,13,14)
InChIKeyGXUXCYSCIJTVRS-UHFFFAOYSA-N
MW231.22 g/mol
LogP0.44
Rot. Bonds2

About 5-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine

5-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine (PubChem CID 82896370) has the molecular formula C9H9N7O and a molecular weight of 231.22 g/mol. Its IUPAC name is 5-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
PubChem CID82896370
Molecular FormulaC9H9N7O
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name5-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
SMILESCn1cncc1-c1noc(-c2cc(N)n[nH]2)n1
InChIInChI=1S/C9H9N7O/c1-16-4-11-3-6(16)8-12-9(17-15-8)5-2-7(10)14-13-5/h2-4H,1H3,(H3,10,13,14)
InChIKeyGXUXCYSCIJTVRS-UHFFFAOYSA-N
XLogP0.44
TPSA111.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine (CID 82896370) is 5-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine is Cn1cncc1-c1noc(-c2cc(N)n[nH]2)n1.
What is the InChIKey of 5-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
The InChIKey is GXUXCYSCIJTVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N7O/c1-16-4-11-3-6(16)8-12-9(17-15-8)5-2-7(10)14-13-5/h2-4H,1H3,(H3,10,13,14).
What are the key properties of 5-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
5-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine has a molecular weight of 231.22 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine is sourced from PubChem (CID 82896370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).