1-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide

C23H18F3N3O2 — CID 155547454

IUPAC1-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
SMILESCOc1ccc(-n2ncc3c(C(=O)NCc4cccc(C(F)(F)F)c4)cccc32)cc1
InChIInChI=1S/C23H18F3N3O2/c1-31-18-10-8-17(9-11-18)29-21-7-3-6-19(20(21)14-28-29)22(30)27-13-15-4-2-5-16(12-15)23(24,25)26/h2-12,14H,13H2,1H3,(H,27,30)
InChIKeyMIRBOYWEMNVTEG-UHFFFAOYSA-N
MW425.41 g/mol
LogP4.98
Rot. Bonds5

About 1-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide

1-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide (PubChem CID 155547454) has the molecular formula C23H18F3N3O2 and a molecular weight of 425.41 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
PubChem CID155547454
Molecular FormulaC23H18F3N3O2
Molecular Weight425.41 g/mol
Exact Mass425.14
IUPAC Name1-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
SMILESCOc1ccc(-n2ncc3c(C(=O)NCc4cccc(C(F)(F)F)c4)cccc32)cc1
InChIInChI=1S/C23H18F3N3O2/c1-31-18-10-8-17(9-11-18)29-21-7-3-6-19(20(21)14-28-29)22(30)27-13-15-4-2-5-16(12-15)23(24,25)26/h2-12,14H,13H2,1H3,(H,27,30)
InChIKeyMIRBOYWEMNVTEG-UHFFFAOYSA-N
XLogP4.98
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.41
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide (CID 155547454) is 1-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide is COc1ccc(-n2ncc3c(C(=O)NCc4cccc(C(F)(F)F)c4)cccc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide?
The InChIKey is MIRBOYWEMNVTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O2/c1-31-18-10-8-17(9-11-18)29-21-7-3-6-19(20(21)14-28-29)22(30)27-13-15-4-2-5-16(12-15)23(24,25)26/h2-12,14H,13H2,1H3,(H,27,30).
What are the key properties of 1-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide?
1-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide has a molecular weight of 425.41 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide is sourced from PubChem (CID 155547454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).