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

C16H20BrN3 — CID 103905323

IUPAC6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCc1c(CNC2CCc3cc(Br)ccc3C2)cnn1C
InChIInChI=1S/C16H20BrN3/c1-11-14(10-19-20(11)2)9-18-16-6-4-12-7-15(17)5-3-13(12)8-16/h3,5,7,10,16,18H,4,6,8-9H2,1-2H3
InChIKeyRGMZMRKVMZHSPE-UHFFFAOYSA-N
MW334.26 g/mol
LogP3.14
Rot. Bonds3

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

6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 103905323) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID103905323
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCc1c(CNC2CCc3cc(Br)ccc3C2)cnn1C
InChIInChI=1S/C16H20BrN3/c1-11-14(10-19-20(11)2)9-18-16-6-4-12-7-15(17)5-3-13(12)8-16/h3,5,7,10,16,18H,4,6,8-9H2,1-2H3
InChIKeyRGMZMRKVMZHSPE-UHFFFAOYSA-N
XLogP3.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 103851430
6-bromo-N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63625881
5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 103905336
6-bromo-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627799
6-bromo-N-[(2-methoxy-3-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627459
6-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 82731848
6-bromo-N-(2H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63625010
6-bromo-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 104629094
4-[(1,5-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol
CID 79579556
6-bromo-N-(furan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 55248067
6-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 105414711
[3-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]phenyl]methanol
CID 103781783

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine (CID 103905323) is 6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine is Cc1c(CNC2CCc3cc(Br)ccc3C2)cnn1C.
What is the InChIKey of 6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is RGMZMRKVMZHSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-11-14(10-19-20(11)2)9-18-16-6-4-12-7-15(17)5-3-13(12)8-16/h3,5,7,10,16,18H,4,6,8-9H2,1-2H3.
What are the key properties of 6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 334.26 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 103905323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).