(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanamine

C12H12Br3N3 — CID 107977457

IUPAC(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanamine
SMILESCCn1ncc(Br)c1C(N)c1cc(Br)cc(Br)c1
InChIInChI=1S/C12H12Br3N3/c1-2-18-12(10(15)6-17-18)11(16)7-3-8(13)5-9(14)4-7/h3-6,11H,2,16H2,1H3
InChIKeyJUUZEQBALKICCT-UHFFFAOYSA-N
MW437.96 g/mol
LogP4.24
Rot. Bonds3

About (4-bromo-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanamine

(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanamine (PubChem CID 107977457) has the molecular formula C12H12Br3N3 and a molecular weight of 437.96 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanamine
PubChem CID107977457
Molecular FormulaC12H12Br3N3
Molecular Weight437.96 g/mol
Exact Mass434.86
IUPAC Name(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanamine
SMILESCCn1ncc(Br)c1C(N)c1cc(Br)cc(Br)c1
InChIInChI=1S/C12H12Br3N3/c1-2-18-12(10(15)6-17-18)11(16)7-3-8(13)5-9(14)4-7/h3-6,11H,2,16H2,1H3
InChIKeyJUUZEQBALKICCT-UHFFFAOYSA-N
XLogP4.24
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.96
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanamine
CID 114646651
(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dimethoxyphenyl)methanamine
CID 105040325
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3,5-dibromophenyl)methanamine
CID 107977548
(4-bromo-1-ethylpyrazol-5-yl)-(3-methylphenyl)methanamine
CID 114646776
(4-bromo-1-ethylpyrazol-5-yl)-pyridazin-4-ylmethanamine
CID 105182914
(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-bromo-5-methylphenyl)methanol
CID 115834761
(3-bromo-5-chlorophenyl)-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methanamine
CID 107946811
1-(4-bromo-1-ethylpyrazol-5-yl)pentan-1-amine
CID 114657499
(3,5-dibromophenyl)-(3-ethyltriazol-4-yl)methanamine
CID 114213442
(4-bromo-1-ethylpyrazol-5-yl)-(3-bromothiophen-2-yl)methanamine
CID 105040396

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanamine?
The IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanamine (CID 107977457) is (4-bromo-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanamine.
What is the SMILES notation for (4-bromo-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanamine?
The canonical SMILES for (4-bromo-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanamine is CCn1ncc(Br)c1C(N)c1cc(Br)cc(Br)c1.
What is the InChIKey of (4-bromo-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanamine?
The InChIKey is JUUZEQBALKICCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br3N3/c1-2-18-12(10(15)6-17-18)11(16)7-3-8(13)5-9(14)4-7/h3-6,11H,2,16H2,1H3.
What are the key properties of (4-bromo-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanamine?
(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanamine has a molecular weight of 437.96 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanamine is sourced from PubChem (CID 107977457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).