5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine

C11H10F3N3 — CID 2782960

IUPAC5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
SMILESCc1[nH]nc(N)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H10F3N3/c1-6-9(10(15)17-16-6)7-3-2-4-8(5-7)11(12,13)14/h2-5H,1H3,(H3,15,16,17)
InChIKeyZQARVLMZLATKQJ-UHFFFAOYSA-N
MW241.22 g/mol
LogP2.99
Rot. Bonds1

About 5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine

5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine (PubChem CID 2782960) has the molecular formula C11H10F3N3 and a molecular weight of 241.22 g/mol. Its IUPAC name is 5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
PubChem CID2782960
Molecular FormulaC11H10F3N3
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
SMILESCc1[nH]nc(N)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H10F3N3/c1-6-9(10(15)17-16-6)7-3-2-4-8(5-7)11(12,13)14/h2-5H,1H3,(H3,15,16,17)
InChIKeyZQARVLMZLATKQJ-UHFFFAOYSA-N
XLogP2.99
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-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 5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine (CID 2782960) is 5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine is Cc1[nH]nc(N)c1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine?
The InChIKey is ZQARVLMZLATKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3/c1-6-9(10(15)17-16-6)7-3-2-4-8(5-7)11(12,13)14/h2-5H,1H3,(H3,15,16,17).
What are the key properties of 5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine?
5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine has a molecular weight of 241.22 g/mol, XLogP of 2.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 2782960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).