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

C7H9N5O3S — CID 64529074

IUPAC5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
SMILESCS(=O)(=O)Cc1noc(-c2cc(N)n[nH]2)n1
InChIInChI=1S/C7H9N5O3S/c1-16(13,14)3-6-9-7(15-12-6)4-2-5(8)11-10-4/h2H,3H2,1H3,(H3,8,10,11)
InChIKeyHLRZPFFXXOFCAK-UHFFFAOYSA-N
MW243.25 g/mol
LogP-0.41
Rot. Bonds3

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

5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine (PubChem CID 64529074) has the molecular formula C7H9N5O3S and a molecular weight of 243.25 g/mol. Its IUPAC name is 5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
PubChem CID64529074
Molecular FormulaC7H9N5O3S
Molecular Weight243.25 g/mol
Exact Mass243.04
IUPAC Name5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
SMILESCS(=O)(=O)Cc1noc(-c2cc(N)n[nH]2)n1
InChIInChI=1S/C7H9N5O3S/c1-16(13,14)3-6-9-7(15-12-6)4-2-5(8)11-10-4/h2H,3H2,1H3,(H3,8,10,11)
InChIKeyHLRZPFFXXOFCAK-UHFFFAOYSA-N
XLogP-0.41
TPSA127.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine (CID 64529074) is 5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine is CS(=O)(=O)Cc1noc(-c2cc(N)n[nH]2)n1.
What is the InChIKey of 5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
The InChIKey is HLRZPFFXXOFCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O3S/c1-16(13,14)3-6-9-7(15-12-6)4-2-5(8)11-10-4/h2H,3H2,1H3,(H3,8,10,11).
What are the key properties of 5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine has a molecular weight of 243.25 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine is sourced from PubChem (CID 64529074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).