5-[4-(2-methylsulfonylethyl)phenyl]-1H-pyrazol-3-amine

C12H15N3O2S — CID 115111556

IUPAC5-[4-(2-methylsulfonylethyl)phenyl]-1H-pyrazol-3-amine
SMILESCS(=O)(=O)CCc1ccc(-c2cc(N)n[nH]2)cc1
InChIInChI=1S/C12H15N3O2S/c1-18(16,17)7-6-9-2-4-10(5-3-9)11-8-12(13)15-14-11/h2-5,8H,6-7H2,1H3,(H3,13,14,15)
InChIKeyWGABQEIAPXIRJI-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.25
Rot. Bonds4

About 5-[4-(2-methylsulfonylethyl)phenyl]-1H-pyrazol-3-amine

5-[4-(2-methylsulfonylethyl)phenyl]-1H-pyrazol-3-amine (PubChem CID 115111556) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 5-[4-(2-methylsulfonylethyl)phenyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[4-(2-methylsulfonylethyl)phenyl]-1H-pyrazol-3-amine
PubChem CID115111556
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name5-[4-(2-methylsulfonylethyl)phenyl]-1H-pyrazol-3-amine
SMILESCS(=O)(=O)CCc1ccc(-c2cc(N)n[nH]2)cc1
InChIInChI=1S/C12H15N3O2S/c1-18(16,17)7-6-9-2-4-10(5-3-9)11-8-12(13)15-14-11/h2-5,8H,6-7H2,1H3,(H3,13,14,15)
InChIKeyWGABQEIAPXIRJI-UHFFFAOYSA-N
XLogP1.25
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methylsulfonylethyl)phenyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[4-(2-methylsulfonylethyl)phenyl]-1H-pyrazol-3-amine (CID 115111556) is 5-[4-(2-methylsulfonylethyl)phenyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[4-(2-methylsulfonylethyl)phenyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[4-(2-methylsulfonylethyl)phenyl]-1H-pyrazol-3-amine is CS(=O)(=O)CCc1ccc(-c2cc(N)n[nH]2)cc1.
What is the InChIKey of 5-[4-(2-methylsulfonylethyl)phenyl]-1H-pyrazol-3-amine?
The InChIKey is WGABQEIAPXIRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-18(16,17)7-6-9-2-4-10(5-3-9)11-8-12(13)15-14-11/h2-5,8H,6-7H2,1H3,(H3,13,14,15).
What are the key properties of 5-[4-(2-methylsulfonylethyl)phenyl]-1H-pyrazol-3-amine?
5-[4-(2-methylsulfonylethyl)phenyl]-1H-pyrazol-3-amine has a molecular weight of 265.34 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methylsulfonylethyl)phenyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 115111556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).