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

C12H12F3N3O — CID 175096749

IUPACN-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine
SMILESCNc1cnn(Cc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C12H12F3N3O/c1-16-10-6-17-18(8-10)7-9-2-4-11(5-3-9)19-12(13,14)15/h2-6,8,16H,7H2,1H3
InChIKeyDCNDOXGEHILJDP-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.87
Rot. Bonds4

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

N-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine (PubChem CID 175096749) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is N-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine.

Molecular Properties

Compound NameN-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine
PubChem CID175096749
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC NameN-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine
SMILESCNc1cnn(Cc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C12H12F3N3O/c1-16-10-6-17-18(8-10)7-9-2-4-11(5-3-9)19-12(13,14)15/h2-6,8,16H,7H2,1H3
InChIKeyDCNDOXGEHILJDP-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-[[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 N-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine?
The IUPAC name of N-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine (CID 175096749) is N-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine.
What is the SMILES notation for N-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine?
The canonical SMILES for N-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine is CNc1cnn(Cc2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of N-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine?
The InChIKey is DCNDOXGEHILJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-16-10-6-17-18(8-10)7-9-2-4-11(5-3-9)19-12(13,14)15/h2-6,8,16H,7H2,1H3.
What are the key properties of N-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine?
N-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine has a molecular weight of 271.24 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine is sourced from PubChem (CID 175096749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).