N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-1-pyridazin-3-ylmethanamine

C13H18BrN5 — CID 106895647

IUPACN-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-1-pyridazin-3-ylmethanamine
SMILESCCc1nn(CC)c(CNCc2cccnn2)c1Br
InChIInChI=1S/C13H18BrN5/c1-3-11-13(14)12(19(4-2)18-11)9-15-8-10-6-5-7-16-17-10/h5-7,15H,3-4,8-9H2,1-2H3
InChIKeyFGKZZNPWTBWYEP-UHFFFAOYSA-N
MW324.23 g/mol
LogP2.31
Rot. Bonds6

About N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-1-pyridazin-3-ylmethanamine

N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-1-pyridazin-3-ylmethanamine (PubChem CID 106895647) has the molecular formula C13H18BrN5 and a molecular weight of 324.23 g/mol. Its IUPAC name is N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-1-pyridazin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-1-pyridazin-3-ylmethanamine
PubChem CID106895647
Molecular FormulaC13H18BrN5
Molecular Weight324.23 g/mol
Exact Mass323.07
IUPAC NameN-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-1-pyridazin-3-ylmethanamine
SMILESCCc1nn(CC)c(CNCc2cccnn2)c1Br
InChIInChI=1S/C13H18BrN5/c1-3-11-13(14)12(19(4-2)18-11)9-15-8-10-6-5-7-16-17-10/h5-7,15H,3-4,8-9H2,1-2H3
InChIKeyFGKZZNPWTBWYEP-UHFFFAOYSA-N
XLogP2.31
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-1-pyridazin-3-ylmethanamine?
The IUPAC name of N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-1-pyridazin-3-ylmethanamine (CID 106895647) is N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-1-pyridazin-3-ylmethanamine.
What is the SMILES notation for N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-1-pyridazin-3-ylmethanamine?
The canonical SMILES for N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-1-pyridazin-3-ylmethanamine is CCc1nn(CC)c(CNCc2cccnn2)c1Br.
What is the InChIKey of N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-1-pyridazin-3-ylmethanamine?
The InChIKey is FGKZZNPWTBWYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN5/c1-3-11-13(14)12(19(4-2)18-11)9-15-8-10-6-5-7-16-17-10/h5-7,15H,3-4,8-9H2,1-2H3.
What are the key properties of N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-1-pyridazin-3-ylmethanamine?
N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-1-pyridazin-3-ylmethanamine has a molecular weight of 324.23 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-1-pyridazin-3-ylmethanamine is sourced from PubChem (CID 106895647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).