3-(4-bromo-1-propylpyrazol-5-yl)-N-methylcyclohexan-1-amine

C13H22BrN3 — CID 114664137

IUPAC3-(4-bromo-1-propylpyrazol-5-yl)-N-methylcyclohexan-1-amine
SMILESCCCn1ncc(Br)c1C1CCCC(NC)C1
InChIInChI=1S/C13H22BrN3/c1-3-7-17-13(12(14)9-16-17)10-5-4-6-11(8-10)15-2/h9-11,15H,3-8H2,1-2H3
InChIKeyOEJIIYAHFZPCHI-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.30
Rot. Bonds4

About 3-(4-bromo-1-propylpyrazol-5-yl)-N-methylcyclohexan-1-amine

3-(4-bromo-1-propylpyrazol-5-yl)-N-methylcyclohexan-1-amine (PubChem CID 114664137) has the molecular formula C13H22BrN3 and a molecular weight of 300.24 g/mol. Its IUPAC name is 3-(4-bromo-1-propylpyrazol-5-yl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(4-bromo-1-propylpyrazol-5-yl)-N-methylcyclohexan-1-amine
PubChem CID114664137
Molecular FormulaC13H22BrN3
Molecular Weight300.24 g/mol
Exact Mass299.10
IUPAC Name3-(4-bromo-1-propylpyrazol-5-yl)-N-methylcyclohexan-1-amine
SMILESCCCn1ncc(Br)c1C1CCCC(NC)C1
InChIInChI=1S/C13H22BrN3/c1-3-7-17-13(12(14)9-16-17)10-5-4-6-11(8-10)15-2/h9-11,15H,3-8H2,1-2H3
InChIKeyOEJIIYAHFZPCHI-UHFFFAOYSA-N
XLogP3.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-5-(3-chlorocycloheptyl)-1-propylpyrazole
CID 114665248
3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-ethylcycloheptan-1-amine
CID 114664233
3-(4-chloro-1-propylpyrazol-5-yl)-N-methylcyclopentan-1-amine
CID 114664094
4-bromo-5-(2-bromocyclohexyl)-1-propylpyrazole
CID 114662597
2-(4-bromo-1-propylpyrazol-5-yl)cyclobutan-1-amine
CID 114666406
4-bromo-5-(2-chlorocycloheptyl)-1-propylpyrazole
CID 114662563
N-[[2-(4-bromo-1-propylpyrazol-5-yl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 114667257
N-[[2-(4-bromo-1-propylpyrazol-5-yl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 114666964
2-[4-bromo-5-(3-bromocyclopentyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 114665381
N-[[2-(4-bromo-1-propylpyrazol-5-yl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 114667267
5-(3-bromocyclopentyl)-4-chloro-1-propylpyrazole
CID 114665372
1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylcyclopentyl)methanamine
CID 114655664

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-1-propylpyrazol-5-yl)-N-methylcyclohexan-1-amine?
The IUPAC name of 3-(4-bromo-1-propylpyrazol-5-yl)-N-methylcyclohexan-1-amine (CID 114664137) is 3-(4-bromo-1-propylpyrazol-5-yl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 3-(4-bromo-1-propylpyrazol-5-yl)-N-methylcyclohexan-1-amine?
The canonical SMILES for 3-(4-bromo-1-propylpyrazol-5-yl)-N-methylcyclohexan-1-amine is CCCn1ncc(Br)c1C1CCCC(NC)C1.
What is the InChIKey of 3-(4-bromo-1-propylpyrazol-5-yl)-N-methylcyclohexan-1-amine?
The InChIKey is OEJIIYAHFZPCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3/c1-3-7-17-13(12(14)9-16-17)10-5-4-6-11(8-10)15-2/h9-11,15H,3-8H2,1-2H3.
What are the key properties of 3-(4-bromo-1-propylpyrazol-5-yl)-N-methylcyclohexan-1-amine?
3-(4-bromo-1-propylpyrazol-5-yl)-N-methylcyclohexan-1-amine has a molecular weight of 300.24 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-1-propylpyrazol-5-yl)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 114664137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).