(4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanamine

C12H13Br2N3 — CID 114646651

IUPAC(4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanamine
SMILESCCn1ncc(Br)c1C(N)c1cccc(Br)c1
InChIInChI=1S/C12H13Br2N3/c1-2-17-12(10(14)7-16-17)11(15)8-4-3-5-9(13)6-8/h3-7,11H,2,15H2,1H3
InChIKeyBIELBZOSEPRZLG-UHFFFAOYSA-N
MW359.07 g/mol
LogP3.48
Rot. Bonds3

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

(4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanamine (PubChem CID 114646651) has the molecular formula C12H13Br2N3 and a molecular weight of 359.07 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanamine
PubChem CID114646651
Molecular FormulaC12H13Br2N3
Molecular Weight359.07 g/mol
Exact Mass356.95
IUPAC Name(4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanamine
SMILESCCn1ncc(Br)c1C(N)c1cccc(Br)c1
InChIInChI=1S/C12H13Br2N3/c1-2-17-12(10(14)7-16-17)11(15)8-4-3-5-9(13)6-8/h3-7,11H,2,15H2,1H3
InChIKeyBIELBZOSEPRZLG-UHFFFAOYSA-N
XLogP3.48
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.07
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-1-ethylpyrazol-5-yl)-(3-methylphenyl)methanamine
CID 114646776
(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanamine
CID 107977457
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(3-bromophenyl)-N-methylmethanamine
CID 114647377
(4-bromo-1-ethylpyrazol-5-yl)-(4-chloro-3-fluorophenyl)methanamine
CID 114025411
(4-bromo-1-ethylpyrazol-5-yl)-pyridazin-4-ylmethanamine
CID 105182914
(3-bromophenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 63977430
(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dimethoxyphenyl)methanamine
CID 105040325
(4-bromo-1-propylpyrazol-5-yl)-(3-propan-2-yloxyphenyl)methanamine
CID 105041234
2-[5-[amino-(3-fluorophenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 114646291
(4-bromo-1-ethylpyrazol-5-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 105039998
(4-bromo-1-ethylpyrazol-5-yl)-phenylmethanol
CID 114634339
(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-bromophenyl)methanamine?
The IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanamine (CID 114646651) is (4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanamine.
What is the SMILES notation for (4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanamine?
The canonical SMILES for (4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanamine is CCn1ncc(Br)c1C(N)c1cccc(Br)c1.
What is the InChIKey of (4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanamine?
The InChIKey is BIELBZOSEPRZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2N3/c1-2-17-12(10(14)7-16-17)11(15)8-4-3-5-9(13)6-8/h3-7,11H,2,15H2,1H3.
What are the key properties of (4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanamine?
(4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanamine has a molecular weight of 359.07 g/mol, XLogP of 3.48, 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-bromophenyl)methanamine is sourced from PubChem (CID 114646651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).