N-[[5-(4-bromopyrazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine

C11H16BrN5 — CID 54909469

IUPACN-[[5-(4-bromopyrazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(C)nn(C)c1-n1cc(Br)cn1
InChIInChI=1S/C11H16BrN5/c1-4-13-6-10-8(2)15-16(3)11(10)17-7-9(12)5-14-17/h5,7,13H,4,6H2,1-3H3
InChIKeyAOOKRXQQLRPQTE-UHFFFAOYSA-N
MW298.19 g/mol
LogP1.79
Rot. Bonds4

About N-[[5-(4-bromopyrazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine

N-[[5-(4-bromopyrazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine (PubChem CID 54909469) has the molecular formula C11H16BrN5 and a molecular weight of 298.19 g/mol. Its IUPAC name is N-[[5-(4-bromopyrazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(4-bromopyrazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
PubChem CID54909469
Molecular FormulaC11H16BrN5
Molecular Weight298.19 g/mol
Exact Mass297.06
IUPAC NameN-[[5-(4-bromopyrazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(C)nn(C)c1-n1cc(Br)cn1
InChIInChI=1S/C11H16BrN5/c1-4-13-6-10-8(2)15-16(3)11(10)17-7-9(12)5-14-17/h5,7,13H,4,6H2,1-3H3
InChIKeyAOOKRXQQLRPQTE-UHFFFAOYSA-N
XLogP1.79
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromopyrazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(4-bromopyrazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine (CID 54909469) is N-[[5-(4-bromopyrazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(4-bromopyrazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(4-bromopyrazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine is CCNCc1c(C)nn(C)c1-n1cc(Br)cn1.
What is the InChIKey of N-[[5-(4-bromopyrazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine?
The InChIKey is AOOKRXQQLRPQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN5/c1-4-13-6-10-8(2)15-16(3)11(10)17-7-9(12)5-14-17/h5,7,13H,4,6H2,1-3H3.
What are the key properties of N-[[5-(4-bromopyrazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine?
N-[[5-(4-bromopyrazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine has a molecular weight of 298.19 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromopyrazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 54909469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).