2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrazol-3-amine

C11H10F3N3S — CID 16789067

IUPAC2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrazol-3-amine
SMILESNc1ccnn1Cc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C11H10F3N3S/c12-11(13,14)18-9-3-1-8(2-4-9)7-17-10(15)5-6-16-17/h1-6H,7,15H2
InChIKeyWSFGGVPEMHNJKG-UHFFFAOYSA-N
MW273.28 g/mol
LogP3.13
Rot. Bonds3

About 2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrazol-3-amine

2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrazol-3-amine (PubChem CID 16789067) has the molecular formula C11H10F3N3S and a molecular weight of 273.28 g/mol. Its IUPAC name is 2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrazol-3-amine.

Molecular Properties

Compound Name2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrazol-3-amine
PubChem CID16789067
Molecular FormulaC11H10F3N3S
Molecular Weight273.28 g/mol
Exact Mass273.05
IUPAC Name2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrazol-3-amine
SMILESNc1ccnn1Cc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C11H10F3N3S/c12-11(13,14)18-9-3-1-8(2-4-9)7-17-10(15)5-6-16-17/h1-6H,7,15H2
InChIKeyWSFGGVPEMHNJKG-UHFFFAOYSA-N
XLogP3.13
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrazol-3-amine?
The IUPAC name of 2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrazol-3-amine (CID 16789067) is 2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrazol-3-amine.
What is the SMILES notation for 2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrazol-3-amine?
The canonical SMILES for 2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrazol-3-amine is Nc1ccnn1Cc1ccc(SC(F)(F)F)cc1.
What is the InChIKey of 2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrazol-3-amine?
The InChIKey is WSFGGVPEMHNJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3S/c12-11(13,14)18-9-3-1-8(2-4-9)7-17-10(15)5-6-16-17/h1-6H,7,15H2.
What are the key properties of 2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrazol-3-amine?
2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrazol-3-amine has a molecular weight of 273.28 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrazol-3-amine is sourced from PubChem (CID 16789067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).