6-chloro-5-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazol-3-amine

C21H15ClF3N3O — CID 21079232

IUPAC6-chloro-5-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazol-3-amine
SMILESFC(F)(F)Oc1ccc(CNc2n[nH]c3cc(Cl)c(-c4ccccc4)cc23)cc1
InChIInChI=1S/C21H15ClF3N3O/c22-18-11-19-17(10-16(18)14-4-2-1-3-5-14)20(28-27-19)26-12-13-6-8-15(9-7-13)29-21(23,24)25/h1-11H,12H2,(H2,26,27,28)
InChIKeyJLDNYQNHJXRHJK-UHFFFAOYSA-N
MW417.82 g/mol
LogP6.39
Rot. Bonds5

About 6-chloro-5-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazol-3-amine

6-chloro-5-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazol-3-amine (PubChem CID 21079232) has the molecular formula C21H15ClF3N3O and a molecular weight of 417.82 g/mol. Its IUPAC name is 6-chloro-5-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazol-3-amine.

Molecular Properties

Compound Name6-chloro-5-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazol-3-amine
PubChem CID21079232
Molecular FormulaC21H15ClF3N3O
Molecular Weight417.82 g/mol
Exact Mass417.09
IUPAC Name6-chloro-5-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazol-3-amine
SMILESFC(F)(F)Oc1ccc(CNc2n[nH]c3cc(Cl)c(-c4ccccc4)cc23)cc1
InChIInChI=1S/C21H15ClF3N3O/c22-18-11-19-17(10-16(18)14-4-2-1-3-5-14)20(28-27-19)26-12-13-6-8-15(9-7-13)29-21(23,24)25/h1-11H,12H2,(H2,26,27,28)
InChIKeyJLDNYQNHJXRHJK-UHFFFAOYSA-N
XLogP6.39
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.82
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazol-3-amine?
The IUPAC name of 6-chloro-5-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazol-3-amine (CID 21079232) is 6-chloro-5-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazol-3-amine.
What is the SMILES notation for 6-chloro-5-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazol-3-amine?
The canonical SMILES for 6-chloro-5-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazol-3-amine is FC(F)(F)Oc1ccc(CNc2n[nH]c3cc(Cl)c(-c4ccccc4)cc23)cc1.
What is the InChIKey of 6-chloro-5-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazol-3-amine?
The InChIKey is JLDNYQNHJXRHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3N3O/c22-18-11-19-17(10-16(18)14-4-2-1-3-5-14)20(28-27-19)26-12-13-6-8-15(9-7-13)29-21(23,24)25/h1-11H,12H2,(H2,26,27,28).
What are the key properties of 6-chloro-5-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazol-3-amine?
6-chloro-5-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazol-3-amine has a molecular weight of 417.82 g/mol, XLogP of 6.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazol-3-amine is sourced from PubChem (CID 21079232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).