N-(4-thiophen-2-ylphenyl)-3-(trifluoromethyl)pyrazol-1-amine

C14H10F3N3S — CID 70104051

IUPACN-(4-thiophen-2-ylphenyl)-3-(trifluoromethyl)pyrazol-1-amine
SMILESFC(F)(F)c1ccn(Nc2ccc(-c3cccs3)cc2)n1
InChIInChI=1S/C14H10F3N3S/c15-14(16,17)13-7-8-20(19-13)18-11-5-3-10(4-6-11)12-2-1-9-21-12/h1-9,18H
InChIKeyKTCDVFMWWXXCIG-UHFFFAOYSA-N
MW309.32 g/mol
LogP4.51
Rot. Bonds3

About N-(4-thiophen-2-ylphenyl)-3-(trifluoromethyl)pyrazol-1-amine

N-(4-thiophen-2-ylphenyl)-3-(trifluoromethyl)pyrazol-1-amine (PubChem CID 70104051) has the molecular formula C14H10F3N3S and a molecular weight of 309.32 g/mol. Its IUPAC name is N-(4-thiophen-2-ylphenyl)-3-(trifluoromethyl)pyrazol-1-amine.

Molecular Properties

Compound NameN-(4-thiophen-2-ylphenyl)-3-(trifluoromethyl)pyrazol-1-amine
PubChem CID70104051
Molecular FormulaC14H10F3N3S
Molecular Weight309.32 g/mol
Exact Mass309.05
IUPAC NameN-(4-thiophen-2-ylphenyl)-3-(trifluoromethyl)pyrazol-1-amine
SMILESFC(F)(F)c1ccn(Nc2ccc(-c3cccs3)cc2)n1
InChIInChI=1S/C14H10F3N3S/c15-14(16,17)13-7-8-20(19-13)18-11-5-3-10(4-6-11)12-2-1-9-21-12/h1-9,18H
InChIKeyKTCDVFMWWXXCIG-UHFFFAOYSA-N
XLogP4.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-thiophen-2-ylphenyl)-3-(trifluoromethyl)pyrazol-1-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 N-(4-thiophen-2-ylphenyl)-3-(trifluoromethyl)pyrazol-1-amine?
The IUPAC name of N-(4-thiophen-2-ylphenyl)-3-(trifluoromethyl)pyrazol-1-amine (CID 70104051) is N-(4-thiophen-2-ylphenyl)-3-(trifluoromethyl)pyrazol-1-amine.
What is the SMILES notation for N-(4-thiophen-2-ylphenyl)-3-(trifluoromethyl)pyrazol-1-amine?
The canonical SMILES for N-(4-thiophen-2-ylphenyl)-3-(trifluoromethyl)pyrazol-1-amine is FC(F)(F)c1ccn(Nc2ccc(-c3cccs3)cc2)n1.
What is the InChIKey of N-(4-thiophen-2-ylphenyl)-3-(trifluoromethyl)pyrazol-1-amine?
The InChIKey is KTCDVFMWWXXCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3S/c15-14(16,17)13-7-8-20(19-13)18-11-5-3-10(4-6-11)12-2-1-9-21-12/h1-9,18H.
What are the key properties of N-(4-thiophen-2-ylphenyl)-3-(trifluoromethyl)pyrazol-1-amine?
N-(4-thiophen-2-ylphenyl)-3-(trifluoromethyl)pyrazol-1-amine has a molecular weight of 309.32 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-thiophen-2-ylphenyl)-3-(trifluoromethyl)pyrazol-1-amine is sourced from PubChem (CID 70104051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).