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

C15H15BrN4 — CID 105182906

IUPAC(4-bromo-1-ethylpyrazol-5-yl)-quinolin-5-ylmethanamine
SMILESCCn1ncc(Br)c1C(N)c1cccc2ncccc12
InChIInChI=1S/C15H15BrN4/c1-2-20-15(12(16)9-19-20)14(17)11-5-3-7-13-10(11)6-4-8-18-13/h3-9,14H,2,17H2,1H3
InChIKeyIWWISFJQNNKZRL-UHFFFAOYSA-N
MW331.22 g/mol
LogP3.26
Rot. Bonds3

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

(4-bromo-1-ethylpyrazol-5-yl)-quinolin-5-ylmethanamine (PubChem CID 105182906) has the molecular formula C15H15BrN4 and a molecular weight of 331.22 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrazol-5-yl)-quinolin-5-ylmethanamine.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrazol-5-yl)-quinolin-5-ylmethanamine
PubChem CID105182906
Molecular FormulaC15H15BrN4
Molecular Weight331.22 g/mol
Exact Mass330.05
IUPAC Name(4-bromo-1-ethylpyrazol-5-yl)-quinolin-5-ylmethanamine
SMILESCCn1ncc(Br)c1C(N)c1cccc2ncccc12
InChIInChI=1S/C15H15BrN4/c1-2-20-15(12(16)9-19-20)14(17)11-5-3-7-13-10(11)6-4-8-18-13/h3-9,14H,2,17H2,1H3
InChIKeyIWWISFJQNNKZRL-UHFFFAOYSA-N
XLogP3.26
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanamine
CID 114877972
(4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanamine
CID 114646651
(2-bromo-3-methylphenyl)-quinolin-5-ylmethanamine
CID 107985270
(4-bromo-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanamine
CID 105182910
(4-bromo-1-ethylpyrazol-5-yl)-(3-methylphenyl)methanamine
CID 114646776
(1R)-1-quinolin-5-ylethane-1,2-diamine
CID 66516625
1-quinolin-5-ylethane-1,2-diamine
CID 55275195
1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine
CID 105182840
1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-quinolin-8-ylmethanamine
CID 105182831
(4-bromo-1-ethylpyrazol-5-yl)-pyridazin-4-ylmethanamine
CID 105182914
(4-bromo-1-ethylpyrazol-5-yl)-(3-bromothiophen-2-yl)methanamine
CID 105040396
(4-bromo-1-ethylpyrazol-5-yl)-(2-bromophenyl)methanol
CID 114634896

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-quinolin-5-ylmethanamine?
The IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-quinolin-5-ylmethanamine (CID 105182906) is (4-bromo-1-ethylpyrazol-5-yl)-quinolin-5-ylmethanamine.
What is the SMILES notation for (4-bromo-1-ethylpyrazol-5-yl)-quinolin-5-ylmethanamine?
The canonical SMILES for (4-bromo-1-ethylpyrazol-5-yl)-quinolin-5-ylmethanamine is CCn1ncc(Br)c1C(N)c1cccc2ncccc12.
What is the InChIKey of (4-bromo-1-ethylpyrazol-5-yl)-quinolin-5-ylmethanamine?
The InChIKey is IWWISFJQNNKZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4/c1-2-20-15(12(16)9-19-20)14(17)11-5-3-7-13-10(11)6-4-8-18-13/h3-9,14H,2,17H2,1H3.
What are the key properties of (4-bromo-1-ethylpyrazol-5-yl)-quinolin-5-ylmethanamine?
(4-bromo-1-ethylpyrazol-5-yl)-quinolin-5-ylmethanamine has a molecular weight of 331.22 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-ethylpyrazol-5-yl)-quinolin-5-ylmethanamine is sourced from PubChem (CID 105182906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).