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

C12H12F3N3S — CID 54921330

IUPAC1-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrazol-3-amine
SMILESCn1ccc(NCc2ccc(SC(F)(F)F)cc2)n1
InChIInChI=1S/C12H12F3N3S/c1-18-7-6-11(17-18)16-8-9-2-4-10(5-3-9)19-12(13,14)15/h2-7H,8H2,1H3,(H,16,17)
InChIKeyRSHZAYFBJJOSKL-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.64
Rot. Bonds4

About 1-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrazol-3-amine

1-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrazol-3-amine (PubChem CID 54921330) has the molecular formula C12H12F3N3S and a molecular weight of 287.31 g/mol. Its IUPAC name is 1-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrazol-3-amine
PubChem CID54921330
Molecular FormulaC12H12F3N3S
Molecular Weight287.31 g/mol
Exact Mass287.07
IUPAC Name1-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrazol-3-amine
SMILESCn1ccc(NCc2ccc(SC(F)(F)F)cc2)n1
InChIInChI=1S/C12H12F3N3S/c1-18-7-6-11(17-18)16-8-9-2-4-10(5-3-9)19-12(13,14)15/h2-7H,8H2,1H3,(H,16,17)
InChIKeyRSHZAYFBJJOSKL-UHFFFAOYSA-N
XLogP3.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrazol-3-amine?
The IUPAC name of 1-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrazol-3-amine (CID 54921330) is 1-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrazol-3-amine.
What is the SMILES notation for 1-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrazol-3-amine?
The canonical SMILES for 1-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrazol-3-amine is Cn1ccc(NCc2ccc(SC(F)(F)F)cc2)n1.
What is the InChIKey of 1-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrazol-3-amine?
The InChIKey is RSHZAYFBJJOSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3S/c1-18-7-6-11(17-18)16-8-9-2-4-10(5-3-9)19-12(13,14)15/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of 1-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrazol-3-amine?
1-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrazol-3-amine has a molecular weight of 287.31 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrazol-3-amine is sourced from PubChem (CID 54921330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).