N-[(4-bromopyrazol-1-yl)methyl]-N-methylethanamine

C7H12BrN3 — CID 130734627

IUPACN-[(4-bromopyrazol-1-yl)methyl]-N-methylethanamine
SMILESCCN(C)Cn1cc(Br)cn1
InChIInChI=1S/C7H12BrN3/c1-3-10(2)6-11-5-7(8)4-9-11/h4-5H,3,6H2,1-2H3
InChIKeyWYZTZBCSNDKMCT-UHFFFAOYSA-N
MW218.10 g/mol
LogP1.55
Rot. Bonds3

About N-[(4-bromopyrazol-1-yl)methyl]-N-methylethanamine

N-[(4-bromopyrazol-1-yl)methyl]-N-methylethanamine (PubChem CID 130734627) has the molecular formula C7H12BrN3 and a molecular weight of 218.10 g/mol. Its IUPAC name is N-[(4-bromopyrazol-1-yl)methyl]-N-methylethanamine.

Molecular Properties

Compound NameN-[(4-bromopyrazol-1-yl)methyl]-N-methylethanamine
PubChem CID130734627
Molecular FormulaC7H12BrN3
Molecular Weight218.10 g/mol
Exact Mass217.02
IUPAC NameN-[(4-bromopyrazol-1-yl)methyl]-N-methylethanamine
SMILESCCN(C)Cn1cc(Br)cn1
InChIInChI=1S/C7H12BrN3/c1-3-10(2)6-11-5-7(8)4-9-11/h4-5H,3,6H2,1-2H3
InChIKeyWYZTZBCSNDKMCT-UHFFFAOYSA-N
XLogP1.55
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.10
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromopyrazol-1-yl)methyl]-N-methylethanamine?
The IUPAC name of N-[(4-bromopyrazol-1-yl)methyl]-N-methylethanamine (CID 130734627) is N-[(4-bromopyrazol-1-yl)methyl]-N-methylethanamine.
What is the SMILES notation for N-[(4-bromopyrazol-1-yl)methyl]-N-methylethanamine?
The canonical SMILES for N-[(4-bromopyrazol-1-yl)methyl]-N-methylethanamine is CCN(C)Cn1cc(Br)cn1.
What is the InChIKey of N-[(4-bromopyrazol-1-yl)methyl]-N-methylethanamine?
The InChIKey is WYZTZBCSNDKMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrN3/c1-3-10(2)6-11-5-7(8)4-9-11/h4-5H,3,6H2,1-2H3.
What are the key properties of N-[(4-bromopyrazol-1-yl)methyl]-N-methylethanamine?
N-[(4-bromopyrazol-1-yl)methyl]-N-methylethanamine has a molecular weight of 218.10 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromopyrazol-1-yl)methyl]-N-methylethanamine is sourced from PubChem (CID 130734627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).