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

1H-Pyrazole, 1,3-dimethyl-
CID 79096
(1-Methyl-1H-pyrazol-5-yl)methanamine
CID 7019421
1,5-Dimethylpyrazole
CID 136502
1-Ethyl-N-methyl-1H-pyrazole-5-methanamine
CID 672403
1-(1-ethyl-1H-pyrazol-3-yl)-N-methylmethanamine
CID 672402
1H-Pyrazole, 1-ethenyl-3-methyl-
CID 3016825
(1-ethyl-1H-pyrazol-5-yl)methanamine
CID 1257624
1-Ethyl-1H-pyrazole-3-methanamine
CID 4715094
(1-Methylpyrazol-3-yl)methanamine
CID 7019419
methyl((1-methyl-1H-pyrazol-3-yl)methyl)amine
CID 7019424
(1-propyl-1H-pyrazol-5-yl)methanamine
CID 19576790
[1-(propan-2-yl)-1H-pyrazol-5-yl]methanamine
CID 23005976

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).