1-[2-(4-fluorophenyl)sulfanylethyl]pyrazol-3-amine

C11H12FN3S — CID 63315951

IUPAC1-[2-(4-fluorophenyl)sulfanylethyl]pyrazol-3-amine
SMILESNc1ccn(CCSc2ccc(F)cc2)n1
InChIInChI=1S/C11H12FN3S/c12-9-1-3-10(4-2-9)16-8-7-15-6-5-11(13)14-15/h1-6H,7-8H2,(H2,13,14)
InChIKeyWJVVWSVBQUHBFS-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.40
Rot. Bonds4

About 1-[2-(4-fluorophenyl)sulfanylethyl]pyrazol-3-amine

1-[2-(4-fluorophenyl)sulfanylethyl]pyrazol-3-amine (PubChem CID 63315951) has the molecular formula C11H12FN3S and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)sulfanylethyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)sulfanylethyl]pyrazol-3-amine
PubChem CID63315951
Molecular FormulaC11H12FN3S
Molecular Weight237.30 g/mol
Exact Mass237.07
IUPAC Name1-[2-(4-fluorophenyl)sulfanylethyl]pyrazol-3-amine
SMILESNc1ccn(CCSc2ccc(F)cc2)n1
InChIInChI=1S/C11H12FN3S/c12-9-1-3-10(4-2-9)16-8-7-15-6-5-11(13)14-15/h1-6H,7-8H2,(H2,13,14)
InChIKeyWJVVWSVBQUHBFS-UHFFFAOYSA-N
XLogP2.40
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)sulfanylethyl]pyrazol-3-amine?
The IUPAC name of 1-[2-(4-fluorophenyl)sulfanylethyl]pyrazol-3-amine (CID 63315951) is 1-[2-(4-fluorophenyl)sulfanylethyl]pyrazol-3-amine.
What is the SMILES notation for 1-[2-(4-fluorophenyl)sulfanylethyl]pyrazol-3-amine?
The canonical SMILES for 1-[2-(4-fluorophenyl)sulfanylethyl]pyrazol-3-amine is Nc1ccn(CCSc2ccc(F)cc2)n1.
What is the InChIKey of 1-[2-(4-fluorophenyl)sulfanylethyl]pyrazol-3-amine?
The InChIKey is WJVVWSVBQUHBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3S/c12-9-1-3-10(4-2-9)16-8-7-15-6-5-11(13)14-15/h1-6H,7-8H2,(H2,13,14).
What are the key properties of 1-[2-(4-fluorophenyl)sulfanylethyl]pyrazol-3-amine?
1-[2-(4-fluorophenyl)sulfanylethyl]pyrazol-3-amine has a molecular weight of 237.30 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)sulfanylethyl]pyrazol-3-amine is sourced from PubChem (CID 63315951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).