N-[1-(3-bromo-4-fluorophenyl)ethyl]-1H-indazol-7-amine

C15H13BrFN3 — CID 43788144

IUPACN-[1-(3-bromo-4-fluorophenyl)ethyl]-1H-indazol-7-amine
SMILESCC(Nc1cccc2cn[nH]c12)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H13BrFN3/c1-9(10-5-6-13(17)12(16)7-10)19-14-4-2-3-11-8-18-20-15(11)14/h2-9,19H,1H3,(H,18,20)
InChIKeyDOOXTMCUMHHVQT-UHFFFAOYSA-N
MW334.19 g/mol
LogP4.64
Rot. Bonds3

About N-[1-(3-bromo-4-fluorophenyl)ethyl]-1H-indazol-7-amine

N-[1-(3-bromo-4-fluorophenyl)ethyl]-1H-indazol-7-amine (PubChem CID 43788144) has the molecular formula C15H13BrFN3 and a molecular weight of 334.19 g/mol. Its IUPAC name is N-[1-(3-bromo-4-fluorophenyl)ethyl]-1H-indazol-7-amine.

Molecular Properties

Compound NameN-[1-(3-bromo-4-fluorophenyl)ethyl]-1H-indazol-7-amine
PubChem CID43788144
Molecular FormulaC15H13BrFN3
Molecular Weight334.19 g/mol
Exact Mass333.03
IUPAC NameN-[1-(3-bromo-4-fluorophenyl)ethyl]-1H-indazol-7-amine
SMILESCC(Nc1cccc2cn[nH]c12)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H13BrFN3/c1-9(10-5-6-13(17)12(16)7-10)19-14-4-2-3-11-8-18-20-15(11)14/h2-9,19H,1H3,(H,18,20)
InChIKeyDOOXTMCUMHHVQT-UHFFFAOYSA-N
XLogP4.64
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.19
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-bromophenyl)ethyl]-1H-indazol-7-amine
CID 43730994
N-[1-(2-fluorophenyl)ethyl]-1H-indazol-7-amine
CID 43730981
3-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-methylaniline
CID 107630093
N-[1-(4-nitrophenyl)ethyl]-1H-indazol-7-amine
CID 43730801
N-[1-(5-chlorothiophen-3-yl)ethyl]-1H-indazol-7-amine
CID 114082685
2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-3-chloroaniline
CID 103478235
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,3,5-trifluoroaniline
CID 63477170
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,4-dichloroaniline
CID 43758735
4-[1-(1H-indazol-7-ylamino)ethyl]benzene-1,3-diol
CID 43730995
N-butan-2-yl-1H-indazol-7-amine
CID 43730948
N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-chloro-2-fluoroaniline
CID 43785117
4-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-chloroaniline
CID 43774962

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-4-fluorophenyl)ethyl]-1H-indazol-7-amine?
The IUPAC name of N-[1-(3-bromo-4-fluorophenyl)ethyl]-1H-indazol-7-amine (CID 43788144) is N-[1-(3-bromo-4-fluorophenyl)ethyl]-1H-indazol-7-amine.
What is the SMILES notation for N-[1-(3-bromo-4-fluorophenyl)ethyl]-1H-indazol-7-amine?
The canonical SMILES for N-[1-(3-bromo-4-fluorophenyl)ethyl]-1H-indazol-7-amine is CC(Nc1cccc2cn[nH]c12)c1ccc(F)c(Br)c1.
What is the InChIKey of N-[1-(3-bromo-4-fluorophenyl)ethyl]-1H-indazol-7-amine?
The InChIKey is DOOXTMCUMHHVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFN3/c1-9(10-5-6-13(17)12(16)7-10)19-14-4-2-3-11-8-18-20-15(11)14/h2-9,19H,1H3,(H,18,20).
What are the key properties of N-[1-(3-bromo-4-fluorophenyl)ethyl]-1H-indazol-7-amine?
N-[1-(3-bromo-4-fluorophenyl)ethyl]-1H-indazol-7-amine has a molecular weight of 334.19 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-4-fluorophenyl)ethyl]-1H-indazol-7-amine is sourced from PubChem (CID 43788144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).