N-[1-(3-bromophenyl)propyl]-1H-indazol-5-amine

C16H16BrN3 — CID 43782693

IUPACN-[1-(3-bromophenyl)propyl]-1H-indazol-5-amine
SMILESCCC(Nc1ccc2[nH]ncc2c1)c1cccc(Br)c1
InChIInChI=1S/C16H16BrN3/c1-2-15(11-4-3-5-13(17)8-11)19-14-6-7-16-12(9-14)10-18-20-16/h3-10,15,19H,2H2,1H3,(H,18,20)
InChIKeyNHTXDHKKOHYCQT-UHFFFAOYSA-N
MW330.23 g/mol
LogP4.89
Rot. Bonds4

About N-[1-(3-bromophenyl)propyl]-1H-indazol-5-amine

N-[1-(3-bromophenyl)propyl]-1H-indazol-5-amine (PubChem CID 43782693) has the molecular formula C16H16BrN3 and a molecular weight of 330.23 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)propyl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)propyl]-1H-indazol-5-amine
PubChem CID43782693
Molecular FormulaC16H16BrN3
Molecular Weight330.23 g/mol
Exact Mass329.05
IUPAC NameN-[1-(3-bromophenyl)propyl]-1H-indazol-5-amine
SMILESCCC(Nc1ccc2[nH]ncc2c1)c1cccc(Br)c1
InChIInChI=1S/C16H16BrN3/c1-2-15(11-4-3-5-13(17)8-11)19-14-6-7-16-12(9-14)10-18-20-16/h3-10,15,19H,2H2,1H3,(H,18,20)
InChIKeyNHTXDHKKOHYCQT-UHFFFAOYSA-N
XLogP4.89
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-bromophenyl)propyl]-4-methoxyaniline
CID 43766009
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CID 43762074
5-[1-(3-bromophenyl)propylamino]-2-methylphenol
CID 107699992
N-(1-phenylbutan-2-yl)-1H-indazol-5-amine
CID 79007288
3-bromo-N-[1-(4-fluorophenyl)propyl]aniline
CID 43098307
N-[1-(3-bromophenyl)propyl]-3-ethoxyaniline
CID 63453492
1-N-[1-(3-bromophenyl)propyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115377343
N-[1-(3-fluorophenyl)ethyl]-1H-indazol-5-amine
CID 43691008
N-[1-(3-bromophenyl)propyl]-3-chloro-4-methoxyaniline
CID 43758118
N-[1-(3-bromophenyl)propyl]-1,3-benzodioxol-5-amine
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CID 43780492

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)propyl]-1H-indazol-5-amine?
The IUPAC name of N-[1-(3-bromophenyl)propyl]-1H-indazol-5-amine (CID 43782693) is N-[1-(3-bromophenyl)propyl]-1H-indazol-5-amine.
What is the SMILES notation for N-[1-(3-bromophenyl)propyl]-1H-indazol-5-amine?
The canonical SMILES for N-[1-(3-bromophenyl)propyl]-1H-indazol-5-amine is CCC(Nc1ccc2[nH]ncc2c1)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)propyl]-1H-indazol-5-amine?
The InChIKey is NHTXDHKKOHYCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3/c1-2-15(11-4-3-5-13(17)8-11)19-14-6-7-16-12(9-14)10-18-20-16/h3-10,15,19H,2H2,1H3,(H,18,20).
What are the key properties of N-[1-(3-bromophenyl)propyl]-1H-indazol-5-amine?
N-[1-(3-bromophenyl)propyl]-1H-indazol-5-amine has a molecular weight of 330.23 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)propyl]-1H-indazol-5-amine is sourced from PubChem (CID 43782693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).