5-bromo-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]pentan-1-amine

C11H20BrN3 — CID 107204808

IUPAC5-bromo-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]pentan-1-amine
SMILESCN(CCCCCBr)Cc1ccn(C)n1
InChIInChI=1S/C11H20BrN3/c1-14(8-5-3-4-7-12)10-11-6-9-15(2)13-11/h6,9H,3-5,7-8,10H2,1-2H3
InChIKeyYBXKGRCERKYZJC-UHFFFAOYSA-N
MW274.21 g/mol
LogP2.42
Rot. Bonds7

About 5-bromo-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]pentan-1-amine

5-bromo-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]pentan-1-amine (PubChem CID 107204808) has the molecular formula C11H20BrN3 and a molecular weight of 274.21 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]pentan-1-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]pentan-1-amine
PubChem CID107204808
Molecular FormulaC11H20BrN3
Molecular Weight274.21 g/mol
Exact Mass273.08
IUPAC Name5-bromo-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]pentan-1-amine
SMILESCN(CCCCCBr)Cc1ccn(C)n1
InChIInChI=1S/C11H20BrN3/c1-14(8-5-3-4-7-12)10-11-6-9-15(2)13-11/h6,9H,3-5,7-8,10H2,1-2H3
InChIKeyYBXKGRCERKYZJC-UHFFFAOYSA-N
XLogP2.42
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.21
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[(1-cyclohexylpyrazol-3-yl)methyl]-N-methylpentan-1-amine
CID 107204922
3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]propanethioamide
CID 82866501
5-bromo-N-[(5-bromo-2-pyridinyl)methyl]-N-methylpentan-1-amine
CID 107204834
9-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]nonan-1-amine
CID 105343668
1-methyl-1-[(1-methylpyrazol-3-yl)methyl]hydrazine
CID 123416642
4-bromo-N-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
CID 106844741
2-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]ethanethioamide
CID 82866933
N'-ethyl-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 82865963
2-chloro-N-ethyl-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 82872228
5-bromo-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methylpentan-1-amine
CID 107204911
5-bromo-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-methylpentan-1-amine
CID 107204793
methyl 2-methyl-3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]propanoate
CID 82853966

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]pentan-1-amine?
The IUPAC name of 5-bromo-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]pentan-1-amine (CID 107204808) is 5-bromo-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]pentan-1-amine.
What is the SMILES notation for 5-bromo-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]pentan-1-amine?
The canonical SMILES for 5-bromo-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]pentan-1-amine is CN(CCCCCBr)Cc1ccn(C)n1.
What is the InChIKey of 5-bromo-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]pentan-1-amine?
The InChIKey is YBXKGRCERKYZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrN3/c1-14(8-5-3-4-7-12)10-11-6-9-15(2)13-11/h6,9H,3-5,7-8,10H2,1-2H3.
What are the key properties of 5-bromo-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]pentan-1-amine?
5-bromo-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]pentan-1-amine has a molecular weight of 274.21 g/mol, XLogP of 2.42, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]pentan-1-amine is sourced from PubChem (CID 107204808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).