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

C11H10F3N3 — CID 159276710

IUPAC1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazol-4-amine
SMILESCn1cc(Nc2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C11H10F3N3/c1-17-7-10(6-15-17)16-9-4-2-3-8(5-9)11(12,13)14/h2-7,16H,1H3
InChIKeyKYKACNZUWKZCMD-UHFFFAOYSA-N
MW241.22 g/mol
LogP3.18
Rot. Bonds2

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

1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazol-4-amine (PubChem CID 159276710) has the molecular formula C11H10F3N3 and a molecular weight of 241.22 g/mol. Its IUPAC name is 1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazol-4-amine
PubChem CID159276710
Molecular FormulaC11H10F3N3
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazol-4-amine
SMILESCn1cc(Nc2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C11H10F3N3/c1-17-7-10(6-15-17)16-9-4-2-3-8(5-9)11(12,13)14/h2-7,16H,1H3
InChIKeyKYKACNZUWKZCMD-UHFFFAOYSA-N
XLogP3.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazol-4-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-[3-(trifluoromethyl)phenyl]pyrazol-4-amine?
The IUPAC name of 1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazol-4-amine (CID 159276710) is 1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazol-4-amine.
What is the SMILES notation for 1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazol-4-amine?
The canonical SMILES for 1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazol-4-amine is Cn1cc(Nc2cccc(C(F)(F)F)c2)cn1.
What is the InChIKey of 1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazol-4-amine?
The InChIKey is KYKACNZUWKZCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3/c1-17-7-10(6-15-17)16-9-4-2-3-8(5-9)11(12,13)14/h2-7,16H,1H3.
What are the key properties of 1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazol-4-amine?
1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazol-4-amine has a molecular weight of 241.22 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazol-4-amine is sourced from PubChem (CID 159276710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).