6-bromo-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]naphthalen-2-amine

C16H15Br2N3 — CID 81266787

IUPAC6-bromo-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]naphthalen-2-amine
SMILESCc1nn(C)c(CNc2ccc3cc(Br)ccc3c2)c1Br
InChIInChI=1S/C16H15Br2N3/c1-10-16(18)15(21(2)20-10)9-19-14-6-4-11-7-13(17)5-3-12(11)8-14/h3-8,19H,9H2,1-2H3
InChIKeyRQCHOKQMXQWOIQ-UHFFFAOYSA-N
MW409.13 g/mol
LogP5.02
Rot. Bonds3

About 6-bromo-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]naphthalen-2-amine

6-bromo-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]naphthalen-2-amine (PubChem CID 81266787) has the molecular formula C16H15Br2N3 and a molecular weight of 409.13 g/mol. Its IUPAC name is 6-bromo-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]naphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]naphthalen-2-amine
PubChem CID81266787
Molecular FormulaC16H15Br2N3
Molecular Weight409.13 g/mol
Exact Mass406.96
IUPAC Name6-bromo-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]naphthalen-2-amine
SMILESCc1nn(C)c(CNc2ccc3cc(Br)ccc3c2)c1Br
InChIInChI=1S/C16H15Br2N3/c1-10-16(18)15(21(2)20-10)9-19-14-6-4-11-7-13(17)5-3-12(11)8-14/h3-8,19H,9H2,1-2H3
InChIKeyRQCHOKQMXQWOIQ-UHFFFAOYSA-N
XLogP5.02
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.13
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]naphthalen-2-amine?
The IUPAC name of 6-bromo-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]naphthalen-2-amine (CID 81266787) is 6-bromo-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]naphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]naphthalen-2-amine?
The canonical SMILES for 6-bromo-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]naphthalen-2-amine is Cc1nn(C)c(CNc2ccc3cc(Br)ccc3c2)c1Br.
What is the InChIKey of 6-bromo-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]naphthalen-2-amine?
The InChIKey is RQCHOKQMXQWOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2N3/c1-10-16(18)15(21(2)20-10)9-19-14-6-4-11-7-13(17)5-3-12(11)8-14/h3-8,19H,9H2,1-2H3.
What are the key properties of 6-bromo-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]naphthalen-2-amine?
6-bromo-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]naphthalen-2-amine has a molecular weight of 409.13 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]naphthalen-2-amine is sourced from PubChem (CID 81266787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).