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

C14H9ClF3N3 — CID 122187124

IUPACN-(3-chlorophenyl)-5-(trifluoromethyl)-1H-indazol-3-amine
SMILESFC(F)(F)c1ccc2[nH]nc(Nc3cccc(Cl)c3)c2c1
InChIInChI=1S/C14H9ClF3N3/c15-9-2-1-3-10(7-9)19-13-11-6-8(14(16,17)18)4-5-12(11)20-21-13/h1-7H,(H2,19,20,21)
InChIKeyFJUKEFAJSAAXSJ-UHFFFAOYSA-N
MW311.69 g/mol
LogP4.98
Rot. Bonds2

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

N-(3-chlorophenyl)-5-(trifluoromethyl)-1H-indazol-3-amine (PubChem CID 122187124) has the molecular formula C14H9ClF3N3 and a molecular weight of 311.69 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-(trifluoromethyl)-1H-indazol-3-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-(trifluoromethyl)-1H-indazol-3-amine
PubChem CID122187124
Molecular FormulaC14H9ClF3N3
Molecular Weight311.69 g/mol
Exact Mass311.04
IUPAC NameN-(3-chlorophenyl)-5-(trifluoromethyl)-1H-indazol-3-amine
SMILESFC(F)(F)c1ccc2[nH]nc(Nc3cccc(Cl)c3)c2c1
InChIInChI=1S/C14H9ClF3N3/c15-9-2-1-3-10(7-9)19-13-11-6-8(14(16,17)18)4-5-12(11)20-21-13/h1-7H,(H2,19,20,21)
InChIKeyFJUKEFAJSAAXSJ-UHFFFAOYSA-N
XLogP4.98
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.69
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-(trifluoromethyl)-1H-indazol-3-amine?
The IUPAC name of N-(3-chlorophenyl)-5-(trifluoromethyl)-1H-indazol-3-amine (CID 122187124) is N-(3-chlorophenyl)-5-(trifluoromethyl)-1H-indazol-3-amine.
What is the SMILES notation for N-(3-chlorophenyl)-5-(trifluoromethyl)-1H-indazol-3-amine?
The canonical SMILES for N-(3-chlorophenyl)-5-(trifluoromethyl)-1H-indazol-3-amine is FC(F)(F)c1ccc2[nH]nc(Nc3cccc(Cl)c3)c2c1.
What is the InChIKey of N-(3-chlorophenyl)-5-(trifluoromethyl)-1H-indazol-3-amine?
The InChIKey is FJUKEFAJSAAXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3N3/c15-9-2-1-3-10(7-9)19-13-11-6-8(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-(trifluoromethyl)-1H-indazol-3-amine?
N-(3-chlorophenyl)-5-(trifluoromethyl)-1H-indazol-3-amine has a molecular weight of 311.69 g/mol, XLogP of 4.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-(trifluoromethyl)-1H-indazol-3-amine is sourced from PubChem (CID 122187124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).