6-bromo-N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine

C15H18BrN3 — CID 63625881

IUPAC6-bromo-N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCn1cc(CNC2CCc3cc(Br)ccc3C2)cn1
InChIInChI=1S/C15H18BrN3/c1-19-10-11(9-18-19)8-17-15-5-3-12-6-14(16)4-2-13(12)7-15/h2,4,6,9-10,15,17H,3,5,7-8H2,1H3
InChIKeyMHWAZOQAUFQLIM-UHFFFAOYSA-N
MW320.23 g/mol
LogP2.83
Rot. Bonds3

About 6-bromo-N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine

6-bromo-N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 63625881) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 6-bromo-N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID63625881
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name6-bromo-N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCn1cc(CNC2CCc3cc(Br)ccc3C2)cn1
InChIInChI=1S/C15H18BrN3/c1-19-10-11(9-18-19)8-17-15-5-3-12-6-14(16)4-2-13(12)7-15/h2,4,6,9-10,15,17H,3,5,7-8H2,1H3
InChIKeyMHWAZOQAUFQLIM-UHFFFAOYSA-N
XLogP2.83
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-bromo-N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine (CID 63625881) is 6-bromo-N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine is Cn1cc(CNC2CCc3cc(Br)ccc3C2)cn1.
What is the InChIKey of 6-bromo-N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is MHWAZOQAUFQLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-19-10-11(9-18-19)8-17-15-5-3-12-6-14(16)4-2-13(12)7-15/h2,4,6,9-10,15,17H,3,5,7-8H2,1H3.
What are the key properties of 6-bromo-N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
6-bromo-N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 320.23 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 63625881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).