5-bromo-N-[(1-cyclohexylpyrazol-3-yl)methyl]-N-methylpentan-1-amine

C16H28BrN3 — CID 107204922

IUPAC5-bromo-N-[(1-cyclohexylpyrazol-3-yl)methyl]-N-methylpentan-1-amine
SMILESCN(CCCCCBr)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C16H28BrN3/c1-19(12-7-3-6-11-17)14-15-10-13-20(18-15)16-8-4-2-5-9-16/h10,13,16H,2-9,11-12,14H2,1H3
InChIKeyKLUKEGUESZNQPM-UHFFFAOYSA-N
MW342.33 g/mol
LogP4.39
Rot. Bonds8

About 5-bromo-N-[(1-cyclohexylpyrazol-3-yl)methyl]-N-methylpentan-1-amine

5-bromo-N-[(1-cyclohexylpyrazol-3-yl)methyl]-N-methylpentan-1-amine (PubChem CID 107204922) has the molecular formula C16H28BrN3 and a molecular weight of 342.33 g/mol. Its IUPAC name is 5-bromo-N-[(1-cyclohexylpyrazol-3-yl)methyl]-N-methylpentan-1-amine.

Molecular Properties

Compound Name5-bromo-N-[(1-cyclohexylpyrazol-3-yl)methyl]-N-methylpentan-1-amine
PubChem CID107204922
Molecular FormulaC16H28BrN3
Molecular Weight342.33 g/mol
Exact Mass341.15
IUPAC Name5-bromo-N-[(1-cyclohexylpyrazol-3-yl)methyl]-N-methylpentan-1-amine
SMILESCN(CCCCCBr)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C16H28BrN3/c1-19(12-7-3-6-11-17)14-15-10-13-20(18-15)16-8-4-2-5-9-16/h10,13,16H,2-9,11-12,14H2,1H3
InChIKeyKLUKEGUESZNQPM-UHFFFAOYSA-N
XLogP4.39
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]propanoic acid
CID 64785385
4-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]butan-2-ol
CID 113259203
5-bromo-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]pentan-1-amine
CID 107204808
N-(2-bromoethyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopentanamine
CID 80673348
1-(3-bromocyclobutyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-methylmethanamine
CID 80690073
N'-[(1-cyclohexylpyrazol-3-yl)methyl]-N'-ethylpropane-1,3-diamine
CID 64800217
N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 64784047
1-cyclohexyl-3-ethylpyrazole
CID 66014335
2-[(1-cyclohexylpyrazol-3-yl)methyl-(2-methoxyethyl)amino]acetic acid
CID 64783644
2-[(2-amino-2-oxoethyl)-[(1-cyclohexylpyrazol-3-yl)methyl]amino]acetic acid
CID 107440267
3-(3-bromo-2,2-dimethylpropyl)-1-cyclohexylpyrazole
CID 66050139
N'-cyclohexyl-N'-[(1-cyclopentylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 64779957

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1-cyclohexylpyrazol-3-yl)methyl]-N-methylpentan-1-amine?
The IUPAC name of 5-bromo-N-[(1-cyclohexylpyrazol-3-yl)methyl]-N-methylpentan-1-amine (CID 107204922) is 5-bromo-N-[(1-cyclohexylpyrazol-3-yl)methyl]-N-methylpentan-1-amine.
What is the SMILES notation for 5-bromo-N-[(1-cyclohexylpyrazol-3-yl)methyl]-N-methylpentan-1-amine?
The canonical SMILES for 5-bromo-N-[(1-cyclohexylpyrazol-3-yl)methyl]-N-methylpentan-1-amine is CN(CCCCCBr)Cc1ccn(C2CCCCC2)n1.
What is the InChIKey of 5-bromo-N-[(1-cyclohexylpyrazol-3-yl)methyl]-N-methylpentan-1-amine?
The InChIKey is KLUKEGUESZNQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28BrN3/c1-19(12-7-3-6-11-17)14-15-10-13-20(18-15)16-8-4-2-5-9-16/h10,13,16H,2-9,11-12,14H2,1H3.
What are the key properties of 5-bromo-N-[(1-cyclohexylpyrazol-3-yl)methyl]-N-methylpentan-1-amine?
5-bromo-N-[(1-cyclohexylpyrazol-3-yl)methyl]-N-methylpentan-1-amine has a molecular weight of 342.33 g/mol, XLogP of 4.39, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1-cyclohexylpyrazol-3-yl)methyl]-N-methylpentan-1-amine is sourced from PubChem (CID 107204922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).