1-[2-(2,5-difluorophenyl)sulfanylethyl]pyrazol-3-amine

C11H11F2N3S — CID 55206224

IUPAC1-[2-(2,5-difluorophenyl)sulfanylethyl]pyrazol-3-amine
SMILESNc1ccn(CCSc2cc(F)ccc2F)n1
InChIInChI=1S/C11H11F2N3S/c12-8-1-2-9(13)10(7-8)17-6-5-16-4-3-11(14)15-16/h1-4,7H,5-6H2,(H2,14,15)
InChIKeyRTFTYKFFVYHZSI-UHFFFAOYSA-N
MW255.29 g/mol
LogP2.54
Rot. Bonds4

About 1-[2-(2,5-difluorophenyl)sulfanylethyl]pyrazol-3-amine

1-[2-(2,5-difluorophenyl)sulfanylethyl]pyrazol-3-amine (PubChem CID 55206224) has the molecular formula C11H11F2N3S and a molecular weight of 255.29 g/mol. Its IUPAC name is 1-[2-(2,5-difluorophenyl)sulfanylethyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[2-(2,5-difluorophenyl)sulfanylethyl]pyrazol-3-amine
PubChem CID55206224
Molecular FormulaC11H11F2N3S
Molecular Weight255.29 g/mol
Exact Mass255.06
IUPAC Name1-[2-(2,5-difluorophenyl)sulfanylethyl]pyrazol-3-amine
SMILESNc1ccn(CCSc2cc(F)ccc2F)n1
InChIInChI=1S/C11H11F2N3S/c12-8-1-2-9(13)10(7-8)17-6-5-16-4-3-11(14)15-16/h1-4,7H,5-6H2,(H2,14,15)
InChIKeyRTFTYKFFVYHZSI-UHFFFAOYSA-N
XLogP2.54
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-difluorophenyl)sulfanylethyl]pyrazol-3-amine?
The IUPAC name of 1-[2-(2,5-difluorophenyl)sulfanylethyl]pyrazol-3-amine (CID 55206224) is 1-[2-(2,5-difluorophenyl)sulfanylethyl]pyrazol-3-amine.
What is the SMILES notation for 1-[2-(2,5-difluorophenyl)sulfanylethyl]pyrazol-3-amine?
The canonical SMILES for 1-[2-(2,5-difluorophenyl)sulfanylethyl]pyrazol-3-amine is Nc1ccn(CCSc2cc(F)ccc2F)n1.
What is the InChIKey of 1-[2-(2,5-difluorophenyl)sulfanylethyl]pyrazol-3-amine?
The InChIKey is RTFTYKFFVYHZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3S/c12-8-1-2-9(13)10(7-8)17-6-5-16-4-3-11(14)15-16/h1-4,7H,5-6H2,(H2,14,15).
What are the key properties of 1-[2-(2,5-difluorophenyl)sulfanylethyl]pyrazol-3-amine?
1-[2-(2,5-difluorophenyl)sulfanylethyl]pyrazol-3-amine has a molecular weight of 255.29 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-difluorophenyl)sulfanylethyl]pyrazol-3-amine is sourced from PubChem (CID 55206224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).