2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylcyclohexan-1-amine

C13H22BrN3O — CID 114662846

IUPAC2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1c1c(Br)cnn1CCOC
InChIInChI=1S/C13H22BrN3O/c1-15-12-6-4-3-5-10(12)13-11(14)9-16-17(13)7-8-18-2/h9-10,12,15H,3-8H2,1-2H3
InChIKeyBGMSZNDHMSSLQS-UHFFFAOYSA-N
MW316.24 g/mol
LogP2.54
Rot. Bonds5

About 2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylcyclohexan-1-amine

2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylcyclohexan-1-amine (PubChem CID 114662846) has the molecular formula C13H22BrN3O and a molecular weight of 316.24 g/mol. Its IUPAC name is 2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylcyclohexan-1-amine
PubChem CID114662846
Molecular FormulaC13H22BrN3O
Molecular Weight316.24 g/mol
Exact Mass315.09
IUPAC Name2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1c1c(Br)cnn1CCOC
InChIInChI=1S/C13H22BrN3O/c1-15-12-6-4-3-5-10(12)13-11(14)9-16-17(13)7-8-18-2/h9-10,12,15H,3-8H2,1-2H3
InChIKeyBGMSZNDHMSSLQS-UHFFFAOYSA-N
XLogP2.54
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-5-(2-bromocyclohexyl)-1-(2-methoxyethyl)pyrazole
CID 114662598
1-[2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]cycloheptyl]-N-methylmethanamine
CID 114667326
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
2-(4-bromo-1-methylpyrazol-5-yl)-N-methylcyclopentan-1-amine
CID 114662893
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-cyclopentyl-N-methylmethanamine
CID 114648229
2-(4-bromo-1-methylpyrazol-5-yl)-N-ethylcycloheptan-1-amine
CID 114662950
[2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethylcyclohexyl]methanamine
CID 114666641
4-bromo-5-(2-bromocyclohexyl)-1-propylpyrazole
CID 114662597
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-cycloheptyl-N-methylethanamine
CID 105042914
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-cycloheptylethanone
CID 115805876
4-bromo-5-(2-chlorocycloheptyl)-1-propylpyrazole
CID 114662563

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylcyclohexan-1-amine?
The IUPAC name of 2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylcyclohexan-1-amine (CID 114662846) is 2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylcyclohexan-1-amine is CNC1CCCCC1c1c(Br)cnn1CCOC.
What is the InChIKey of 2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylcyclohexan-1-amine?
The InChIKey is BGMSZNDHMSSLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3O/c1-15-12-6-4-3-5-10(12)13-11(14)9-16-17(13)7-8-18-2/h9-10,12,15H,3-8H2,1-2H3.
What are the key properties of 2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylcyclohexan-1-amine?
2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylcyclohexan-1-amine has a molecular weight of 316.24 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 114662846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).