2-[(4-bromo-1,3-diethylpyrazol-5-yl)methoxy]-N-methylcyclohexan-1-amine

C15H26BrN3O — CID 102633202

IUPAC2-[(4-bromo-1,3-diethylpyrazol-5-yl)methoxy]-N-methylcyclohexan-1-amine
SMILESCCc1nn(CC)c(COC2CCCCC2NC)c1Br
InChIInChI=1S/C15H26BrN3O/c1-4-11-15(16)13(19(5-2)18-11)10-20-14-9-7-6-8-12(14)17-3/h12,14,17H,4-10H2,1-3H3
InChIKeyZYMRAOQAOQLCIV-UHFFFAOYSA-N
MW344.30 g/mol
LogP3.28
Rot. Bonds6

About 2-[(4-bromo-1,3-diethylpyrazol-5-yl)methoxy]-N-methylcyclohexan-1-amine

2-[(4-bromo-1,3-diethylpyrazol-5-yl)methoxy]-N-methylcyclohexan-1-amine (PubChem CID 102633202) has the molecular formula C15H26BrN3O and a molecular weight of 344.30 g/mol. Its IUPAC name is 2-[(4-bromo-1,3-diethylpyrazol-5-yl)methoxy]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(4-bromo-1,3-diethylpyrazol-5-yl)methoxy]-N-methylcyclohexan-1-amine
PubChem CID102633202
Molecular FormulaC15H26BrN3O
Molecular Weight344.30 g/mol
Exact Mass343.13
IUPAC Name2-[(4-bromo-1,3-diethylpyrazol-5-yl)methoxy]-N-methylcyclohexan-1-amine
SMILESCCc1nn(CC)c(COC2CCCCC2NC)c1Br
InChIInChI=1S/C15H26BrN3O/c1-4-11-15(16)13(19(5-2)18-11)10-20-14-9-7-6-8-12(14)17-3/h12,14,17H,4-10H2,1-3H3
InChIKeyZYMRAOQAOQLCIV-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4-bromo-1,3-diethylpyrazol-5-yl)methoxy]-N-methylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-1,3-diethylpyrazol-5-yl)methoxy]-N-methylcyclohexan-1-amine?
The IUPAC name of 2-[(4-bromo-1,3-diethylpyrazol-5-yl)methoxy]-N-methylcyclohexan-1-amine (CID 102633202) is 2-[(4-bromo-1,3-diethylpyrazol-5-yl)methoxy]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[(4-bromo-1,3-diethylpyrazol-5-yl)methoxy]-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-[(4-bromo-1,3-diethylpyrazol-5-yl)methoxy]-N-methylcyclohexan-1-amine is CCc1nn(CC)c(COC2CCCCC2NC)c1Br.
What is the InChIKey of 2-[(4-bromo-1,3-diethylpyrazol-5-yl)methoxy]-N-methylcyclohexan-1-amine?
The InChIKey is ZYMRAOQAOQLCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrN3O/c1-4-11-15(16)13(19(5-2)18-11)10-20-14-9-7-6-8-12(14)17-3/h12,14,17H,4-10H2,1-3H3.
What are the key properties of 2-[(4-bromo-1,3-diethylpyrazol-5-yl)methoxy]-N-methylcyclohexan-1-amine?
2-[(4-bromo-1,3-diethylpyrazol-5-yl)methoxy]-N-methylcyclohexan-1-amine has a molecular weight of 344.30 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-1,3-diethylpyrazol-5-yl)methoxy]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 102633202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).