1-(7-bicyclo[4.1.0]heptanyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)-N-methylethanamine

C17H28BrN3 — CID 105002348

IUPAC1-(7-bicyclo[4.1.0]heptanyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)-N-methylethanamine
SMILESCCc1nn(CC)c(CC(NC)C2C3CCCCC32)c1Br
InChIInChI=1S/C17H28BrN3/c1-4-13-17(18)15(21(5-2)20-13)10-14(19-3)16-11-8-6-7-9-12(11)16/h11-12,14,16,19H,4-10H2,1-3H3
InChIKeyZIXSXASYCGBIRD-UHFFFAOYSA-N
MW354.34 g/mol
LogP3.79
Rot. Bonds6

About 1-(7-bicyclo[4.1.0]heptanyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)-N-methylethanamine

1-(7-bicyclo[4.1.0]heptanyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)-N-methylethanamine (PubChem CID 105002348) has the molecular formula C17H28BrN3 and a molecular weight of 354.34 g/mol. Its IUPAC name is 1-(7-bicyclo[4.1.0]heptanyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(7-bicyclo[4.1.0]heptanyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)-N-methylethanamine
PubChem CID105002348
Molecular FormulaC17H28BrN3
Molecular Weight354.34 g/mol
Exact Mass353.15
IUPAC Name1-(7-bicyclo[4.1.0]heptanyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)-N-methylethanamine
SMILESCCc1nn(CC)c(CC(NC)C2C3CCCCC32)c1Br
InChIInChI=1S/C17H28BrN3/c1-4-13-17(18)15(21(5-2)20-13)10-14(19-3)16-11-8-6-7-9-12(11)16/h11-12,14,16,19H,4-10H2,1-3H3
InChIKeyZIXSXASYCGBIRD-UHFFFAOYSA-N
XLogP3.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(7-bicyclo[4.1.0]heptanyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)-N-methylethanamine with MolForge

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Related Compounds

2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine
CID 107004668
2-(4-bromo-1,3-diethylpyrazol-5-yl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine
CID 105162267
1-(4-bromo-1,3-diethylpyrazol-5-yl)-N-methyloctan-2-amine
CID 105002309
1-(7-bicyclo[4.1.0]heptanyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanamine
CID 105001490
2-[(4-bromo-1,3-diethylpyrazol-5-yl)methoxy]-N-methylcyclohexan-1-amine
CID 102633202
4-bromo-5-[2-(chloromethyl)butyl]-1,3-diethylpyrazole
CID 66033443
1-(4-bromo-1,3-diethylpyrazol-5-yl)-4-(2,2-difluoroethoxy)-N-methylbutan-2-amine
CID 103149167
[2-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cycloheptyl]methanamine
CID 81011059
N-[[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66024898
[3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-dimethoxypropan-2-yl]hydrazine
CID 105246129
3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cyclohept-2-en-1-ol
CID 107383447
3-(4-bromo-1,3-diethylpyrazol-5-yl)-1-cyclopropyl-1-methoxypropan-2-ol
CID 116712576

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.1.0]heptanyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)-N-methylethanamine?
The IUPAC name of 1-(7-bicyclo[4.1.0]heptanyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)-N-methylethanamine (CID 105002348) is 1-(7-bicyclo[4.1.0]heptanyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)-N-methylethanamine.
What is the SMILES notation for 1-(7-bicyclo[4.1.0]heptanyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)-N-methylethanamine?
The canonical SMILES for 1-(7-bicyclo[4.1.0]heptanyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)-N-methylethanamine is CCc1nn(CC)c(CC(NC)C2C3CCCCC32)c1Br.
What is the InChIKey of 1-(7-bicyclo[4.1.0]heptanyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)-N-methylethanamine?
The InChIKey is ZIXSXASYCGBIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrN3/c1-4-13-17(18)15(21(5-2)20-13)10-14(19-3)16-11-8-6-7-9-12(11)16/h11-12,14,16,19H,4-10H2,1-3H3.
What are the key properties of 1-(7-bicyclo[4.1.0]heptanyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)-N-methylethanamine?
1-(7-bicyclo[4.1.0]heptanyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)-N-methylethanamine has a molecular weight of 354.34 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.1.0]heptanyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)-N-methylethanamine is sourced from PubChem (CID 105002348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).