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

C12H12F3N3O — CID 43534981

IUPAC1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine
SMILESCn1cc(NCc2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C12H12F3N3O/c1-18-8-10(7-17-18)16-6-9-2-4-11(5-3-9)19-12(13,14)15/h2-5,7-8,16H,6H2,1H3
InChIKeyOYBFXUWDLUKFOD-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.93
Rot. Bonds4

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

1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine (PubChem CID 43534981) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is 1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine
PubChem CID43534981
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine
SMILESCn1cc(NCc2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C12H12F3N3O/c1-18-8-10(7-17-18)16-6-9-2-4-11(5-3-9)19-12(13,14)15/h2-5,7-8,16H,6H2,1H3
InChIKeyOYBFXUWDLUKFOD-UHFFFAOYSA-N
XLogP2.93
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]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-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine?
The IUPAC name of 1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine (CID 43534981) is 1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine.
What is the SMILES notation for 1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine?
The canonical SMILES for 1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine is Cn1cc(NCc2ccc(OC(F)(F)F)cc2)cn1.
What is the InChIKey of 1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine?
The InChIKey is OYBFXUWDLUKFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-18-8-10(7-17-18)16-6-9-2-4-11(5-3-9)19-12(13,14)15/h2-5,7-8,16H,6H2,1H3.
What are the key properties of 1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine?
1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine has a molecular weight of 271.24 g/mol, XLogP of 2.93, 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-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine is sourced from PubChem (CID 43534981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).