N-[[2-(4-bromo-1-methylpyrazol-5-yl)cyclobutyl]methyl]-2-methylpropan-2-amine

C13H22BrN3 — CID 114666974

IUPACN-[[2-(4-bromo-1-methylpyrazol-5-yl)cyclobutyl]methyl]-2-methylpropan-2-amine
SMILESCn1ncc(Br)c1C1CCC1CNC(C)(C)C
InChIInChI=1S/C13H22BrN3/c1-13(2,3)15-7-9-5-6-10(9)12-11(14)8-16-17(12)4/h8-10,15H,5-7H2,1-4H3
InChIKeyZAIHSDOFLAKKPT-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.06
Rot. Bonds3

About N-[[2-(4-bromo-1-methylpyrazol-5-yl)cyclobutyl]methyl]-2-methylpropan-2-amine

N-[[2-(4-bromo-1-methylpyrazol-5-yl)cyclobutyl]methyl]-2-methylpropan-2-amine (PubChem CID 114666974) has the molecular formula C13H22BrN3 and a molecular weight of 300.24 g/mol. Its IUPAC name is N-[[2-(4-bromo-1-methylpyrazol-5-yl)cyclobutyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-bromo-1-methylpyrazol-5-yl)cyclobutyl]methyl]-2-methylpropan-2-amine
PubChem CID114666974
Molecular FormulaC13H22BrN3
Molecular Weight300.24 g/mol
Exact Mass299.10
IUPAC NameN-[[2-(4-bromo-1-methylpyrazol-5-yl)cyclobutyl]methyl]-2-methylpropan-2-amine
SMILESCn1ncc(Br)c1C1CCC1CNC(C)(C)C
InChIInChI=1S/C13H22BrN3/c1-13(2,3)15-7-9-5-6-10(9)12-11(14)8-16-17(12)4/h8-10,15H,5-7H2,1-4H3
InChIKeyZAIHSDOFLAKKPT-UHFFFAOYSA-N
XLogP3.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(4-bromo-1-propylpyrazol-5-yl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 114666964
1-[2-(4-bromo-1-methylpyrazol-5-yl)cyclohexyl]-N-methylmethanamine
CID 114667200
N-[[2-(4-bromo-1-propylpyrazol-5-yl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 114667257
N-[[2-(4-bromo-1-methylpyrazol-5-yl)cyclopentyl]methyl]propan-1-amine
CID 114667130
1-[2-(4-bromo-1-methylpyrazol-5-yl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 114667461
1-[2-(4-bromo-1-methylpyrazol-5-yl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 114667553
N-[[2-(4-bromo-1-methylpyrazol-5-yl)-4-propylcyclohexyl]methyl]propan-2-amine
CID 114667511
N-[[2-(1-ethylpyrazol-4-yl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81017767
N-[[2-(4-bromo-1-methylpyrazol-5-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
CID 114667530
2-(4-bromo-1-methylpyrazol-5-yl)-N-methylcyclopentan-1-amine
CID 114662893
2-(4-bromo-1-methylpyrazol-5-yl)-N-ethylcycloheptan-1-amine
CID 114662950
N-[[2-(1,4-dimethylpyrazol-5-yl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 112742437

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-bromo-1-methylpyrazol-5-yl)cyclobutyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(4-bromo-1-methylpyrazol-5-yl)cyclobutyl]methyl]-2-methylpropan-2-amine (CID 114666974) is N-[[2-(4-bromo-1-methylpyrazol-5-yl)cyclobutyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(4-bromo-1-methylpyrazol-5-yl)cyclobutyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(4-bromo-1-methylpyrazol-5-yl)cyclobutyl]methyl]-2-methylpropan-2-amine is Cn1ncc(Br)c1C1CCC1CNC(C)(C)C.
What is the InChIKey of N-[[2-(4-bromo-1-methylpyrazol-5-yl)cyclobutyl]methyl]-2-methylpropan-2-amine?
The InChIKey is ZAIHSDOFLAKKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3/c1-13(2,3)15-7-9-5-6-10(9)12-11(14)8-16-17(12)4/h8-10,15H,5-7H2,1-4H3.
What are the key properties of N-[[2-(4-bromo-1-methylpyrazol-5-yl)cyclobutyl]methyl]-2-methylpropan-2-amine?
N-[[2-(4-bromo-1-methylpyrazol-5-yl)cyclobutyl]methyl]-2-methylpropan-2-amine has a molecular weight of 300.24 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-bromo-1-methylpyrazol-5-yl)cyclobutyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114666974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).