5-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazol-4-amine

C7H11F2N3O2S — CID 66440034

IUPAC5-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazol-4-amine
SMILESCS(=O)(=O)CCn1ncc(N)c1C(F)F
InChIInChI=1S/C7H11F2N3O2S/c1-15(13,14)3-2-12-6(7(8)9)5(10)4-11-12/h4,7H,2-3,10H2,1H3
InChIKeyOPBPRYCTFKAXDG-UHFFFAOYSA-N
MW239.25 g/mol
LogP0.45
Rot. Bonds4

About 5-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazol-4-amine

5-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazol-4-amine (PubChem CID 66440034) has the molecular formula C7H11F2N3O2S and a molecular weight of 239.25 g/mol. Its IUPAC name is 5-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazol-4-amine.

Molecular Properties

Compound Name5-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazol-4-amine
PubChem CID66440034
Molecular FormulaC7H11F2N3O2S
Molecular Weight239.25 g/mol
Exact Mass239.05
IUPAC Name5-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazol-4-amine
SMILESCS(=O)(=O)CCn1ncc(N)c1C(F)F
InChIInChI=1S/C7H11F2N3O2S/c1-15(13,14)3-2-12-6(7(8)9)5(10)4-11-12/h4,7H,2-3,10H2,1H3
InChIKeyOPBPRYCTFKAXDG-UHFFFAOYSA-N
XLogP0.45
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazol-4-amine?
The IUPAC name of 5-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazol-4-amine (CID 66440034) is 5-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazol-4-amine.
What is the SMILES notation for 5-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazol-4-amine?
The canonical SMILES for 5-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazol-4-amine is CS(=O)(=O)CCn1ncc(N)c1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazol-4-amine?
The InChIKey is OPBPRYCTFKAXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3O2S/c1-15(13,14)3-2-12-6(7(8)9)5(10)4-11-12/h4,7H,2-3,10H2,1H3.
What are the key properties of 5-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazol-4-amine?
5-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazol-4-amine has a molecular weight of 239.25 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazol-4-amine is sourced from PubChem (CID 66440034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).