N-[(4-methoxyphenyl)methyl]-1-phenyl-5-(trifluoromethyl)indazol-3-amine

C22H18F3N3O — CID 155526400

IUPACN-[(4-methoxyphenyl)methyl]-1-phenyl-5-(trifluoromethyl)indazol-3-amine
SMILESCOc1ccc(CNc2nn(-c3ccccc3)c3ccc(C(F)(F)F)cc23)cc1
InChIInChI=1S/C22H18F3N3O/c1-29-18-10-7-15(8-11-18)14-26-21-19-13-16(22(23,24)25)9-12-20(19)28(27-21)17-5-3-2-4-6-17/h2-13H,14H2,1H3,(H,26,27)
InChIKeyUSWZSURFPCQNEH-UHFFFAOYSA-N
MW397.40 g/mol
LogP5.66
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-1-phenyl-5-(trifluoromethyl)indazol-3-amine

N-[(4-methoxyphenyl)methyl]-1-phenyl-5-(trifluoromethyl)indazol-3-amine (PubChem CID 155526400) has the molecular formula C22H18F3N3O and a molecular weight of 397.40 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-phenyl-5-(trifluoromethyl)indazol-3-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-phenyl-5-(trifluoromethyl)indazol-3-amine
PubChem CID155526400
Molecular FormulaC22H18F3N3O
Molecular Weight397.40 g/mol
Exact Mass397.14
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-phenyl-5-(trifluoromethyl)indazol-3-amine
SMILESCOc1ccc(CNc2nn(-c3ccccc3)c3ccc(C(F)(F)F)cc23)cc1
InChIInChI=1S/C22H18F3N3O/c1-29-18-10-7-15(8-11-18)14-26-21-19-13-16(22(23,24)25)9-12-20(19)28(27-21)17-5-3-2-4-6-17/h2-13H,14H2,1H3,(H,26,27)
InChIKeyUSWZSURFPCQNEH-UHFFFAOYSA-N
XLogP5.66
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.40
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-methoxyphenyl)methyl]-1-phenyl-5-(trifluoromethyl)indazol-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 N-[(4-methoxyphenyl)methyl]-1-phenyl-5-(trifluoromethyl)indazol-3-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-phenyl-5-(trifluoromethyl)indazol-3-amine (CID 155526400) is N-[(4-methoxyphenyl)methyl]-1-phenyl-5-(trifluoromethyl)indazol-3-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-phenyl-5-(trifluoromethyl)indazol-3-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-phenyl-5-(trifluoromethyl)indazol-3-amine is COc1ccc(CNc2nn(-c3ccccc3)c3ccc(C(F)(F)F)cc23)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-phenyl-5-(trifluoromethyl)indazol-3-amine?
The InChIKey is USWZSURFPCQNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3O/c1-29-18-10-7-15(8-11-18)14-26-21-19-13-16(22(23,24)25)9-12-20(19)28(27-21)17-5-3-2-4-6-17/h2-13H,14H2,1H3,(H,26,27).
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-phenyl-5-(trifluoromethyl)indazol-3-amine?
N-[(4-methoxyphenyl)methyl]-1-phenyl-5-(trifluoromethyl)indazol-3-amine has a molecular weight of 397.40 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-phenyl-5-(trifluoromethyl)indazol-3-amine is sourced from PubChem (CID 155526400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).