N-[1-(2,4-dichlorophenyl)propyl]-1H-indazol-7-amine

C16H15Cl2N3 — CID 43731052

IUPACN-[1-(2,4-dichlorophenyl)propyl]-1H-indazol-7-amine
SMILESCCC(Nc1cccc2cn[nH]c12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl2N3/c1-2-14(12-7-6-11(17)8-13(12)18)20-15-5-3-4-10-9-19-21-16(10)15/h3-9,14,20H,2H2,1H3,(H,19,21)
InChIKeyIJDHQMFACFVUQV-UHFFFAOYSA-N
MW320.22 g/mol
LogP5.43
Rot. Bonds4

About N-[1-(2,4-dichlorophenyl)propyl]-1H-indazol-7-amine

N-[1-(2,4-dichlorophenyl)propyl]-1H-indazol-7-amine (PubChem CID 43731052) has the molecular formula C16H15Cl2N3 and a molecular weight of 320.22 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)propyl]-1H-indazol-7-amine.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)propyl]-1H-indazol-7-amine
PubChem CID43731052
Molecular FormulaC16H15Cl2N3
Molecular Weight320.22 g/mol
Exact Mass319.06
IUPAC NameN-[1-(2,4-dichlorophenyl)propyl]-1H-indazol-7-amine
SMILESCCC(Nc1cccc2cn[nH]c12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl2N3/c1-2-14(12-7-6-11(17)8-13(12)18)20-15-5-3-4-10-9-19-21-16(10)15/h3-9,14,20H,2H2,1H3,(H,19,21)
InChIKeyIJDHQMFACFVUQV-UHFFFAOYSA-N
XLogP5.43
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.22
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[1-(2,4-dichlorophenyl)propyl]-2-fluoroaniline
CID 43503454
2-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-iodoaniline
CID 63445541
2-chloro-N-[1-(2,4-dichlorophenyl)propyl]-5-fluoroaniline
CID 107527392
N-[1-(2,4-dichlorophenyl)propyl]-2,3,4-trifluoroaniline
CID 43503301
N-(1-phenylpentyl)-1H-indazol-7-amine
CID 43788123
1-(2,4-dichlorophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine
CID 62040459
N-(2-ethylbutyl)-1H-indazol-7-amine
CID 43730884
N-[(2R)-4-methylpentan-2-yl]-1H-indazol-7-amine
CID 93272922
3-[1-(2,4-dichlorophenyl)propylamino]phenol
CID 43503411
N-[1-(2,4-dichlorophenyl)propyl]-2,5-difluoro-4-methylaniline
CID 103585203
2,4-dichloro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676843
N-[1-(2-fluorophenyl)ethyl]-1H-indazol-7-amine
CID 43730981

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)propyl]-1H-indazol-7-amine?
The IUPAC name of N-[1-(2,4-dichlorophenyl)propyl]-1H-indazol-7-amine (CID 43731052) is N-[1-(2,4-dichlorophenyl)propyl]-1H-indazol-7-amine.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)propyl]-1H-indazol-7-amine?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)propyl]-1H-indazol-7-amine is CCC(Nc1cccc2cn[nH]c12)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)propyl]-1H-indazol-7-amine?
The InChIKey is IJDHQMFACFVUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3/c1-2-14(12-7-6-11(17)8-13(12)18)20-15-5-3-4-10-9-19-21-16(10)15/h3-9,14,20H,2H2,1H3,(H,19,21).
What are the key properties of N-[1-(2,4-dichlorophenyl)propyl]-1H-indazol-7-amine?
N-[1-(2,4-dichlorophenyl)propyl]-1H-indazol-7-amine has a molecular weight of 320.22 g/mol, XLogP of 5.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)propyl]-1H-indazol-7-amine is sourced from PubChem (CID 43731052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).