1-methyl-4-thiophen-2-yl-3-(trifluoromethyl)pyrazol-5-amine

C9H8F3N3S — CID 28812039

IUPAC1-methyl-4-thiophen-2-yl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCn1nc(C(F)(F)F)c(-c2cccs2)c1N
InChIInChI=1S/C9H8F3N3S/c1-15-8(13)6(5-3-2-4-16-5)7(14-15)9(10,11)12/h2-4H,13H2,1H3
InChIKeyCFARSYOHFGOBSZ-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.75
Rot. Bonds1

About 1-methyl-4-thiophen-2-yl-3-(trifluoromethyl)pyrazol-5-amine

1-methyl-4-thiophen-2-yl-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 28812039) has the molecular formula C9H8F3N3S and a molecular weight of 247.25 g/mol. Its IUPAC name is 1-methyl-4-thiophen-2-yl-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-4-thiophen-2-yl-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID28812039
Molecular FormulaC9H8F3N3S
Molecular Weight247.25 g/mol
Exact Mass247.04
IUPAC Name1-methyl-4-thiophen-2-yl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCn1nc(C(F)(F)F)c(-c2cccs2)c1N
InChIInChI=1S/C9H8F3N3S/c1-15-8(13)6(5-3-2-4-16-5)7(14-15)9(10,11)12/h2-4H,13H2,1H3
InChIKeyCFARSYOHFGOBSZ-UHFFFAOYSA-N
XLogP2.75
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-4-thiophen-2-yl-3-(trifluoromethyl)pyrazol-5-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-4-thiophen-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 1-methyl-4-thiophen-2-yl-3-(trifluoromethyl)pyrazol-5-amine (CID 28812039) is 1-methyl-4-thiophen-2-yl-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 1-methyl-4-thiophen-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 1-methyl-4-thiophen-2-yl-3-(trifluoromethyl)pyrazol-5-amine is Cn1nc(C(F)(F)F)c(-c2cccs2)c1N.
What is the InChIKey of 1-methyl-4-thiophen-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is CFARSYOHFGOBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3S/c1-15-8(13)6(5-3-2-4-16-5)7(14-15)9(10,11)12/h2-4H,13H2,1H3.
What are the key properties of 1-methyl-4-thiophen-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
1-methyl-4-thiophen-2-yl-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 247.25 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-thiophen-2-yl-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 28812039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).