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

C16H15BrClN3 — CID 81266615

IUPAC6-bromo-N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]naphthalen-2-amine
SMILESCc1nn(C)c(CNc2ccc3cc(Br)ccc3c2)c1Cl
InChIInChI=1S/C16H15BrClN3/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
InChIKeyVYVKOSUHCCZFDK-UHFFFAOYSA-N
MW364.67 g/mol
LogP4.91
Rot. Bonds3

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

6-bromo-N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]naphthalen-2-amine (PubChem CID 81266615) has the molecular formula C16H15BrClN3 and a molecular weight of 364.67 g/mol. Its IUPAC name is 6-bromo-N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]naphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]naphthalen-2-amine
PubChem CID81266615
Molecular FormulaC16H15BrClN3
Molecular Weight364.67 g/mol
Exact Mass363.01
IUPAC Name6-bromo-N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]naphthalen-2-amine
SMILESCc1nn(C)c(CNc2ccc3cc(Br)ccc3c2)c1Cl
InChIInChI=1S/C16H15BrClN3/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
InChIKeyVYVKOSUHCCZFDK-UHFFFAOYSA-N
XLogP4.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.67
LogP ≤ 54.91
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-chloro-1,3-dimethylpyrazol-5-yl)methyl]naphthalen-2-amine?
The IUPAC name of 6-bromo-N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]naphthalen-2-amine (CID 81266615) is 6-bromo-N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]naphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]naphthalen-2-amine?
The canonical SMILES for 6-bromo-N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]naphthalen-2-amine is Cc1nn(C)c(CNc2ccc3cc(Br)ccc3c2)c1Cl.
What is the InChIKey of 6-bromo-N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]naphthalen-2-amine?
The InChIKey is VYVKOSUHCCZFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN3/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-chloro-1,3-dimethylpyrazol-5-yl)methyl]naphthalen-2-amine?
6-bromo-N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]naphthalen-2-amine has a molecular weight of 364.67 g/mol, XLogP of 4.91, 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-chloro-1,3-dimethylpyrazol-5-yl)methyl]naphthalen-2-amine is sourced from PubChem (CID 81266615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).