(4-bromo-1-ethylpyrazol-5-yl)-pyridazin-4-ylmethanamine

C10H12BrN5 — CID 105182914

IUPAC(4-bromo-1-ethylpyrazol-5-yl)-pyridazin-4-ylmethanamine
SMILESCCn1ncc(Br)c1C(N)c1ccnnc1
InChIInChI=1S/C10H12BrN5/c1-2-16-10(8(11)6-15-16)9(12)7-3-4-13-14-5-7/h3-6,9H,2,12H2,1H3
InChIKeyZQRAEUMVLWBULA-UHFFFAOYSA-N
MW282.14 g/mol
LogP1.50
Rot. Bonds3

About (4-bromo-1-ethylpyrazol-5-yl)-pyridazin-4-ylmethanamine

(4-bromo-1-ethylpyrazol-5-yl)-pyridazin-4-ylmethanamine (PubChem CID 105182914) has the molecular formula C10H12BrN5 and a molecular weight of 282.14 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrazol-5-yl)-pyridazin-4-ylmethanamine.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrazol-5-yl)-pyridazin-4-ylmethanamine
PubChem CID105182914
Molecular FormulaC10H12BrN5
Molecular Weight282.14 g/mol
Exact Mass281.03
IUPAC Name(4-bromo-1-ethylpyrazol-5-yl)-pyridazin-4-ylmethanamine
SMILESCCn1ncc(Br)c1C(N)c1ccnnc1
InChIInChI=1S/C10H12BrN5/c1-2-16-10(8(11)6-15-16)9(12)7-3-4-13-14-5-7/h3-6,9H,2,12H2,1H3
InChIKeyZQRAEUMVLWBULA-UHFFFAOYSA-N
XLogP1.50
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-pyridazin-4-ylmethanamine
CID 105183012
(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanamine
CID 107977457
(4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanamine
CID 114646651
(4-bromo-1-ethylpyrazol-5-yl)-(3-methylphenyl)methanamine
CID 114646776
(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dimethoxyphenyl)methanamine
CID 105040325
(4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanamine
CID 114877972
(4-bromo-1-ethylpyrazol-5-yl)-(4-chloro-3-fluorophenyl)methanamine
CID 114025411
(4-bromo-1-ethylpyrazol-5-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 105039998
(4-bromo-1-ethylpyrazol-5-yl)-(3-bromothiophen-2-yl)methanamine
CID 105040396
(4-bromo-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanamine
CID 105182910
(4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanamine
CID 114658333
(4-bromo-1-ethylpyrazol-5-yl)-(3-chlorothiophen-2-yl)methanamine
CID 105040300

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-pyridazin-4-ylmethanamine?
The IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-pyridazin-4-ylmethanamine (CID 105182914) is (4-bromo-1-ethylpyrazol-5-yl)-pyridazin-4-ylmethanamine.
What is the SMILES notation for (4-bromo-1-ethylpyrazol-5-yl)-pyridazin-4-ylmethanamine?
The canonical SMILES for (4-bromo-1-ethylpyrazol-5-yl)-pyridazin-4-ylmethanamine is CCn1ncc(Br)c1C(N)c1ccnnc1.
What is the InChIKey of (4-bromo-1-ethylpyrazol-5-yl)-pyridazin-4-ylmethanamine?
The InChIKey is ZQRAEUMVLWBULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5/c1-2-16-10(8(11)6-15-16)9(12)7-3-4-13-14-5-7/h3-6,9H,2,12H2,1H3.
What are the key properties of (4-bromo-1-ethylpyrazol-5-yl)-pyridazin-4-ylmethanamine?
(4-bromo-1-ethylpyrazol-5-yl)-pyridazin-4-ylmethanamine has a molecular weight of 282.14 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-ethylpyrazol-5-yl)-pyridazin-4-ylmethanamine is sourced from PubChem (CID 105182914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).