4-methoxy-1-(3-methylbutyl)-5-[2-methyl-4-(trifluoromethyl)phenyl]indazole

C21H23F3N2O — CID 152570078

IUPAC4-methoxy-1-(3-methylbutyl)-5-[2-methyl-4-(trifluoromethyl)phenyl]indazole
SMILESCOc1c(-c2ccc(C(F)(F)F)cc2C)ccc2c1cnn2CCC(C)C
InChIInChI=1S/C21H23F3N2O/c1-13(2)9-10-26-19-8-7-17(20(27-4)18(19)12-25-26)16-6-5-15(11-14(16)3)21(22,23)24/h5-8,11-13H,9-10H2,1-4H3
InChIKeyYRHJXOOLFBKYNB-UHFFFAOYSA-N
MW376.42 g/mol
LogP6.09
Rot. Bonds5

About 4-methoxy-1-(3-methylbutyl)-5-[2-methyl-4-(trifluoromethyl)phenyl]indazole

4-methoxy-1-(3-methylbutyl)-5-[2-methyl-4-(trifluoromethyl)phenyl]indazole (PubChem CID 152570078) has the molecular formula C21H23F3N2O and a molecular weight of 376.42 g/mol. Its IUPAC name is 4-methoxy-1-(3-methylbutyl)-5-[2-methyl-4-(trifluoromethyl)phenyl]indazole.

Molecular Properties

Compound Name4-methoxy-1-(3-methylbutyl)-5-[2-methyl-4-(trifluoromethyl)phenyl]indazole
PubChem CID152570078
Molecular FormulaC21H23F3N2O
Molecular Weight376.42 g/mol
Exact Mass376.18
IUPAC Name4-methoxy-1-(3-methylbutyl)-5-[2-methyl-4-(trifluoromethyl)phenyl]indazole
SMILESCOc1c(-c2ccc(C(F)(F)F)cc2C)ccc2c1cnn2CCC(C)C
InChIInChI=1S/C21H23F3N2O/c1-13(2)9-10-26-19-8-7-17(20(27-4)18(19)12-25-26)16-6-5-15(11-14(16)3)21(22,23)24/h5-8,11-13H,9-10H2,1-4H3
InChIKeyYRHJXOOLFBKYNB-UHFFFAOYSA-N
XLogP6.09
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.42
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-1-(3-methylbutyl)-5-[2-methyl-4-(trifluoromethyl)phenyl]indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[2-[[Cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyindazol-1-yl]acetic acid
CID 71222507
5-(2-Ethoxyphenyl)-1-(4-fluorophenyl)indazole
CID 46830800
6-methoxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole
CID 90645465
1H-Indazole-5-acetic acid, 4-methoxy-1-phenyl-, methyl ester
CID 378733
2H-Indazole, 2-(3-methoxyphenyl)-
CID 3067342
7-Methoxy-4-p-tolyl-1,2-dihydro-3,9,9a-triaza-fluorene
CID 25102385
7-Methoxy-4-(4-methoxy-phenyl)-1,2-dihydro-3,9,9a-triaza-fluorene
CID 25102387
1-Methoxy-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium hydroxide
CID 71763891
1-Methoxy-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium
CID 71763892
2-Fluoro-5-(5-(4-methoxyphenyl)-1H-indazol-1-yl)phenol
CID 163233868
2-Fluoro-5-(5-(2-methoxyphenyl)-1H-indazol-1-yl)phenol
CID 163234083
2,3-Difluoro-5-(5-(6-methoxypyridin-3-yl)-1H-indazol-1-yl)phenol
CID 163234170

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(3-methylbutyl)-5-[2-methyl-4-(trifluoromethyl)phenyl]indazole?
The IUPAC name of 4-methoxy-1-(3-methylbutyl)-5-[2-methyl-4-(trifluoromethyl)phenyl]indazole (CID 152570078) is 4-methoxy-1-(3-methylbutyl)-5-[2-methyl-4-(trifluoromethyl)phenyl]indazole.
What is the SMILES notation for 4-methoxy-1-(3-methylbutyl)-5-[2-methyl-4-(trifluoromethyl)phenyl]indazole?
The canonical SMILES for 4-methoxy-1-(3-methylbutyl)-5-[2-methyl-4-(trifluoromethyl)phenyl]indazole is COc1c(-c2ccc(C(F)(F)F)cc2C)ccc2c1cnn2CCC(C)C.
What is the InChIKey of 4-methoxy-1-(3-methylbutyl)-5-[2-methyl-4-(trifluoromethyl)phenyl]indazole?
The InChIKey is YRHJXOOLFBKYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O/c1-13(2)9-10-26-19-8-7-17(20(27-4)18(19)12-25-26)16-6-5-15(11-14(16)3)21(22,23)24/h5-8,11-13H,9-10H2,1-4H3.
What are the key properties of 4-methoxy-1-(3-methylbutyl)-5-[2-methyl-4-(trifluoromethyl)phenyl]indazole?
4-methoxy-1-(3-methylbutyl)-5-[2-methyl-4-(trifluoromethyl)phenyl]indazole has a molecular weight of 376.42 g/mol, XLogP of 6.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(3-methylbutyl)-5-[2-methyl-4-(trifluoromethyl)phenyl]indazole is sourced from PubChem (CID 152570078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).