N-[[2-(4-bromo-1-propylpyrazol-5-yl)cyclohexyl]methyl]-2-methylpropan-1-amine

C17H30BrN3 — CID 114667267

IUPACN-[[2-(4-bromo-1-propylpyrazol-5-yl)cyclohexyl]methyl]-2-methylpropan-1-amine
SMILESCCCn1ncc(Br)c1C1CCCCC1CNCC(C)C
InChIInChI=1S/C17H30BrN3/c1-4-9-21-17(16(18)12-20-21)15-8-6-5-7-14(15)11-19-10-13(2)3/h12-15,19H,4-11H2,1-3H3
InChIKeyJFMISPHUVLWHME-UHFFFAOYSA-N
MW356.35 g/mol
LogP4.57
Rot. Bonds7

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

N-[[2-(4-bromo-1-propylpyrazol-5-yl)cyclohexyl]methyl]-2-methylpropan-1-amine (PubChem CID 114667267) has the molecular formula C17H30BrN3 and a molecular weight of 356.35 g/mol. Its IUPAC name is N-[[2-(4-bromo-1-propylpyrazol-5-yl)cyclohexyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-bromo-1-propylpyrazol-5-yl)cyclohexyl]methyl]-2-methylpropan-1-amine
PubChem CID114667267
Molecular FormulaC17H30BrN3
Molecular Weight356.35 g/mol
Exact Mass355.16
IUPAC NameN-[[2-(4-bromo-1-propylpyrazol-5-yl)cyclohexyl]methyl]-2-methylpropan-1-amine
SMILESCCCn1ncc(Br)c1C1CCCCC1CNCC(C)C
InChIInChI=1S/C17H30BrN3/c1-4-9-21-17(16(18)12-20-21)15-8-6-5-7-14(15)11-19-10-13(2)3/h12-15,19H,4-11H2,1-3H3
InChIKeyJFMISPHUVLWHME-UHFFFAOYSA-N
XLogP4.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(4-bromo-1-propan-2-ylpyrazol-5-yl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 114667269
N-[[2-(4-bromo-1-propylpyrazol-5-yl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 114667257
4-bromo-5-(2-bromocyclohexyl)-1-propylpyrazole
CID 114662597
N-[[2-(4-bromo-1-propylpyrazol-5-yl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 114666964
4-bromo-5-(2-chlorocycloheptyl)-1-propylpyrazole
CID 114662563
N-[[2-(4-bromo-1-methylpyrazol-5-yl)cyclopentyl]methyl]propan-1-amine
CID 114667130
2-(4-bromo-1-propylpyrazol-5-yl)cyclobutan-1-amine
CID 114666406
1-[2-(4-bromo-1-ethylpyrazol-5-yl)cyclopentyl]-N-methylmethanamine
CID 114667101
1-[2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]cycloheptyl]-N-methylmethanamine
CID 114667326
N-[[2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 114667176
1-[2-(4-bromo-1-methylpyrazol-5-yl)cyclohexyl]-N-methylmethanamine
CID 114667200
2-[5-[2-(aminomethyl)cyclohexyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 114666566

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-bromo-1-propylpyrazol-5-yl)cyclohexyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(4-bromo-1-propylpyrazol-5-yl)cyclohexyl]methyl]-2-methylpropan-1-amine (CID 114667267) is N-[[2-(4-bromo-1-propylpyrazol-5-yl)cyclohexyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(4-bromo-1-propylpyrazol-5-yl)cyclohexyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(4-bromo-1-propylpyrazol-5-yl)cyclohexyl]methyl]-2-methylpropan-1-amine is CCCn1ncc(Br)c1C1CCCCC1CNCC(C)C.
What is the InChIKey of N-[[2-(4-bromo-1-propylpyrazol-5-yl)cyclohexyl]methyl]-2-methylpropan-1-amine?
The InChIKey is JFMISPHUVLWHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30BrN3/c1-4-9-21-17(16(18)12-20-21)15-8-6-5-7-14(15)11-19-10-13(2)3/h12-15,19H,4-11H2,1-3H3.
What are the key properties of N-[[2-(4-bromo-1-propylpyrazol-5-yl)cyclohexyl]methyl]-2-methylpropan-1-amine?
N-[[2-(4-bromo-1-propylpyrazol-5-yl)cyclohexyl]methyl]-2-methylpropan-1-amine has a molecular weight of 356.35 g/mol, XLogP of 4.57, 7 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-propylpyrazol-5-yl)cyclohexyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114667267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).