2-[(4-methoxyphenyl)methyl]-1-methyl-5-(trifluoromethyl)indazol-3-one

C17H15F3N2O2 — CID 155550288

IUPAC2-[(4-methoxyphenyl)methyl]-1-methyl-5-(trifluoromethyl)indazol-3-one
SMILESCOc1ccc(Cn2c(=O)c3cc(C(F)(F)F)ccc3n2C)cc1
InChIInChI=1S/C17H15F3N2O2/c1-21-15-8-5-12(17(18,19)20)9-14(15)16(23)22(21)10-11-3-6-13(24-2)7-4-11/h3-9H,10H2,1-2H3
InChIKeyTYLZHKJEXXUWKP-UHFFFAOYSA-N
MW336.31 g/mol
LogP3.42
Rot. Bonds3

About 2-[(4-methoxyphenyl)methyl]-1-methyl-5-(trifluoromethyl)indazol-3-one

2-[(4-methoxyphenyl)methyl]-1-methyl-5-(trifluoromethyl)indazol-3-one (PubChem CID 155550288) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-1-methyl-5-(trifluoromethyl)indazol-3-one.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-1-methyl-5-(trifluoromethyl)indazol-3-one
PubChem CID155550288
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC Name2-[(4-methoxyphenyl)methyl]-1-methyl-5-(trifluoromethyl)indazol-3-one
SMILESCOc1ccc(Cn2c(=O)c3cc(C(F)(F)F)ccc3n2C)cc1
InChIInChI=1S/C17H15F3N2O2/c1-21-15-8-5-12(17(18,19)20)9-14(15)16(23)22(21)10-11-3-6-13(24-2)7-4-11/h3-9H,10H2,1-2H3
InChIKeyTYLZHKJEXXUWKP-UHFFFAOYSA-N
XLogP3.42
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(4-methoxyphenyl)methyl]-1-methyl-5-(trifluoromethyl)indazol-3-one 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 2-[(4-methoxyphenyl)methyl]-1-methyl-5-(trifluoromethyl)indazol-3-one?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-1-methyl-5-(trifluoromethyl)indazol-3-one (CID 155550288) is 2-[(4-methoxyphenyl)methyl]-1-methyl-5-(trifluoromethyl)indazol-3-one.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-1-methyl-5-(trifluoromethyl)indazol-3-one?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-1-methyl-5-(trifluoromethyl)indazol-3-one is COc1ccc(Cn2c(=O)c3cc(C(F)(F)F)ccc3n2C)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-1-methyl-5-(trifluoromethyl)indazol-3-one?
The InChIKey is TYLZHKJEXXUWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c1-21-15-8-5-12(17(18,19)20)9-14(15)16(23)22(21)10-11-3-6-13(24-2)7-4-11/h3-9H,10H2,1-2H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-1-methyl-5-(trifluoromethyl)indazol-3-one?
2-[(4-methoxyphenyl)methyl]-1-methyl-5-(trifluoromethyl)indazol-3-one has a molecular weight of 336.31 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-1-methyl-5-(trifluoromethyl)indazol-3-one is sourced from PubChem (CID 155550288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).