N-(3-chlorophenyl)-5-(trifluoromethoxy)-1H-indazol-3-amine

C14H9ClF3N3O — CID 69170145

IUPACN-(3-chlorophenyl)-5-(trifluoromethoxy)-1H-indazol-3-amine
SMILESFC(F)(F)Oc1ccc2[nH]nc(Nc3cccc(Cl)c3)c2c1
InChIInChI=1S/C14H9ClF3N3O/c15-8-2-1-3-9(6-8)19-13-11-7-10(22-14(16,17)18)4-5-12(11)20-21-13/h1-7H,(H2,19,20,21)
InChIKeyWAGHCIKISGKUDV-UHFFFAOYSA-N
MW327.69 g/mol
LogP4.86
Rot. Bonds3

About N-(3-chlorophenyl)-5-(trifluoromethoxy)-1H-indazol-3-amine

N-(3-chlorophenyl)-5-(trifluoromethoxy)-1H-indazol-3-amine (PubChem CID 69170145) has the molecular formula C14H9ClF3N3O and a molecular weight of 327.69 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-(trifluoromethoxy)-1H-indazol-3-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-(trifluoromethoxy)-1H-indazol-3-amine
PubChem CID69170145
Molecular FormulaC14H9ClF3N3O
Molecular Weight327.69 g/mol
Exact Mass327.04
IUPAC NameN-(3-chlorophenyl)-5-(trifluoromethoxy)-1H-indazol-3-amine
SMILESFC(F)(F)Oc1ccc2[nH]nc(Nc3cccc(Cl)c3)c2c1
InChIInChI=1S/C14H9ClF3N3O/c15-8-2-1-3-9(6-8)19-13-11-7-10(22-14(16,17)18)4-5-12(11)20-21-13/h1-7H,(H2,19,20,21)
InChIKeyWAGHCIKISGKUDV-UHFFFAOYSA-N
XLogP4.86
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.69
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-5-methoxy-1H-indazol-3-amine
CID 24991698
N-(1-(3-methoxybenzyl)piperidin-4-yl)-5-chloro-1H-indazol-3-amine
CID 44405430
N-(3,4-difluorophenyl)-6-(trifluoromethoxy)-1H-indazol-3-amine
CID 137635177
N-(3,4-difluorophenyl)-7-(trifluoromethoxy)-1H-indazol-3-amine
CID 137636816
EDJ-MED-c8e7a002-2
CID 156906985
N-(4-methoxyphenyl)-6-methyl-1H-indazol-3-amine
CID 162643327
N-(4-methoxyphenyl)-5-methyl-1H-indazol-3-amine
CID 162655049
6-fluoro-N-(4-methoxyphenyl)-1H-indazol-3-amine
CID 162666576
6-methoxy-N-(4-methoxyphenyl)-1H-indazol-3-amine
CID 162666751
5-N-(4-methoxyphenyl)-3-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-3,5-diamine
CID 135066066
6-chloro-5-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazol-3-amine
CID 21079232
6-chloro-7-fluoro-N-(4-methoxyphenyl)-5-phenyl-1H-indazol-3-amine
CID 22225633

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-(trifluoromethoxy)-1H-indazol-3-amine?
The IUPAC name of N-(3-chlorophenyl)-5-(trifluoromethoxy)-1H-indazol-3-amine (CID 69170145) is N-(3-chlorophenyl)-5-(trifluoromethoxy)-1H-indazol-3-amine.
What is the SMILES notation for N-(3-chlorophenyl)-5-(trifluoromethoxy)-1H-indazol-3-amine?
The canonical SMILES for N-(3-chlorophenyl)-5-(trifluoromethoxy)-1H-indazol-3-amine is FC(F)(F)Oc1ccc2[nH]nc(Nc3cccc(Cl)c3)c2c1.
What is the InChIKey of N-(3-chlorophenyl)-5-(trifluoromethoxy)-1H-indazol-3-amine?
The InChIKey is WAGHCIKISGKUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3N3O/c15-8-2-1-3-9(6-8)19-13-11-7-10(22-14(16,17)18)4-5-12(11)20-21-13/h1-7H,(H2,19,20,21).
What are the key properties of N-(3-chlorophenyl)-5-(trifluoromethoxy)-1H-indazol-3-amine?
N-(3-chlorophenyl)-5-(trifluoromethoxy)-1H-indazol-3-amine has a molecular weight of 327.69 g/mol, XLogP of 4.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-(trifluoromethoxy)-1H-indazol-3-amine is sourced from PubChem (CID 69170145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).