1-[2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]cycloheptyl]-N-methylmethanamine

C15H26BrN3O — CID 114667326

IUPAC1-[2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]cycloheptyl]-N-methylmethanamine
SMILESCNCC1CCCCCC1c1c(Br)cnn1CCOC
InChIInChI=1S/C15H26BrN3O/c1-17-10-12-6-4-3-5-7-13(12)15-14(16)11-18-19(15)8-9-20-2/h11-13,17H,3-10H2,1-2H3
InChIKeyDHTDOJCWPCVBMF-UHFFFAOYSA-N
MW344.30 g/mol
LogP3.18
Rot. Bonds6

About 1-[2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]cycloheptyl]-N-methylmethanamine

1-[2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]cycloheptyl]-N-methylmethanamine (PubChem CID 114667326) has the molecular formula C15H26BrN3O and a molecular weight of 344.30 g/mol. Its IUPAC name is 1-[2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]cycloheptyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]cycloheptyl]-N-methylmethanamine
PubChem CID114667326
Molecular FormulaC15H26BrN3O
Molecular Weight344.30 g/mol
Exact Mass343.13
IUPAC Name1-[2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]cycloheptyl]-N-methylmethanamine
SMILESCNCC1CCCCCC1c1c(Br)cnn1CCOC
InChIInChI=1S/C15H26BrN3O/c1-17-10-12-6-4-3-5-7-13(12)15-14(16)11-18-19(15)8-9-20-2/h11-13,17H,3-10H2,1-2H3
InChIKeyDHTDOJCWPCVBMF-UHFFFAOYSA-N
XLogP3.18
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-bromo-1-methylpyrazol-5-yl)cyclohexyl]-N-methylmethanamine
CID 114667200
2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylcyclohexan-1-amine
CID 114662846
4-bromo-5-(2-bromocyclohexyl)-1-(2-methoxyethyl)pyrazole
CID 114662598
1-[2-(4-bromo-1-ethylpyrazol-5-yl)cyclopentyl]-N-methylmethanamine
CID 114667101
2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]cyclopentan-1-ol
CID 114662410
4-bromo-5-(2-chlorocyclopentyl)-1-(2-methoxyethyl)pyrazole
CID 114662548
N-[[2-(4-bromo-1-propylpyrazol-5-yl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 114667257
N-[[2-(4-bromo-1-propylpyrazol-5-yl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 114667267
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-cyclopentyl-N-methylmethanamine
CID 114648229
2-[5-[2-(aminomethyl)cyclohexyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 114666566
[2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethylcyclohexyl]methanamine
CID 114666641
1-[2-(4-bromo-1-methylpyrazol-5-yl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 114667553

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]cycloheptyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]cycloheptyl]-N-methylmethanamine (CID 114667326) is 1-[2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]cycloheptyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]cycloheptyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]cycloheptyl]-N-methylmethanamine is CNCC1CCCCCC1c1c(Br)cnn1CCOC.
What is the InChIKey of 1-[2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]cycloheptyl]-N-methylmethanamine?
The InChIKey is DHTDOJCWPCVBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrN3O/c1-17-10-12-6-4-3-5-7-13(12)15-14(16)11-18-19(15)8-9-20-2/h11-13,17H,3-10H2,1-2H3.
What are the key properties of 1-[2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]cycloheptyl]-N-methylmethanamine?
1-[2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]cycloheptyl]-N-methylmethanamine has a molecular weight of 344.30 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]cycloheptyl]-N-methylmethanamine is sourced from PubChem (CID 114667326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).