N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine

C14H16F3N3O — CID 71919283

IUPACN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine
SMILESCN(Cc1cccc(OC(F)(F)F)c1)Cc1cnn(C)c1
InChIInChI=1S/C14H16F3N3O/c1-19(9-12-7-18-20(2)10-12)8-11-4-3-5-13(6-11)21-14(15,16)17/h3-7,10H,8-9H2,1-2H3
InChIKeyGUINCTPGLLTFDH-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.95
Rot. Bonds5

About N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine (PubChem CID 71919283) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine
PubChem CID71919283
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine
SMILESCN(Cc1cccc(OC(F)(F)F)c1)Cc1cnn(C)c1
InChIInChI=1S/C14H16F3N3O/c1-19(9-12-7-18-20(2)10-12)8-11-4-3-5-13(6-11)21-14(15,16)17/h3-7,10H,8-9H2,1-2H3
InChIKeyGUINCTPGLLTFDH-UHFFFAOYSA-N
XLogP2.95
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine 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-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine (CID 71919283) is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine is CN(Cc1cccc(OC(F)(F)F)c1)Cc1cnn(C)c1.
What is the InChIKey of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is GUINCTPGLLTFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-19(9-12-7-18-20(2)10-12)8-11-4-3-5-13(6-11)21-14(15,16)17/h3-7,10H,8-9H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine?
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 299.30 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 71919283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).