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

C14H18BrN3O2 — CID 105040325

IUPAC(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dimethoxyphenyl)methanamine
SMILESCCn1ncc(Br)c1C(N)c1cc(OC)cc(OC)c1
InChIInChI=1S/C14H18BrN3O2/c1-4-18-14(12(15)8-17-18)13(16)9-5-10(19-2)7-11(6-9)20-3/h5-8,13H,4,16H2,1-3H3
InChIKeyLYLURIFOTLYYMR-UHFFFAOYSA-N
MW340.22 g/mol
LogP2.73
Rot. Bonds5

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

(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dimethoxyphenyl)methanamine (PubChem CID 105040325) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrazol-5-yl)-(3,5-dimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dimethoxyphenyl)methanamine
PubChem CID105040325
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dimethoxyphenyl)methanamine
SMILESCCn1ncc(Br)c1C(N)c1cc(OC)cc(OC)c1
InChIInChI=1S/C14H18BrN3O2/c1-4-18-14(12(15)8-17-18)13(16)9-5-10(19-2)7-11(6-9)20-3/h5-8,13H,4,16H2,1-3H3
InChIKeyLYLURIFOTLYYMR-UHFFFAOYSA-N
XLogP2.73
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-bromo-1-propylpyrazol-5-yl)-(3,5-dimethoxyphenyl)methanamine
CID 105041471
(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-(2-methoxyethyl)pyrazol-5-yl]-(3,5-dibromophenyl)methanamine
CID 107977548
(4-bromo-1-ethylpyrazol-5-yl)-pyridazin-4-ylmethanamine
CID 105182914
(4-bromo-1-ethylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanamine
CID 105040106
(4-bromo-1-ethylpyrazol-5-yl)-(4-chloro-3-fluorophenyl)methanamine
CID 114025411
2-[5-[amino-(4-methoxyphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 114646010
(4-bromo-1-ethylpyrazol-5-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 105039998
(3-bromo-5-chlorophenyl)-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methanamine
CID 107946811
(3-bromo-4-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 114660068

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(3,5-dimethoxyphenyl)methanamine?
The IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(3,5-dimethoxyphenyl)methanamine (CID 105040325) is (4-bromo-1-ethylpyrazol-5-yl)-(3,5-dimethoxyphenyl)methanamine.
What is the SMILES notation for (4-bromo-1-ethylpyrazol-5-yl)-(3,5-dimethoxyphenyl)methanamine?
The canonical SMILES for (4-bromo-1-ethylpyrazol-5-yl)-(3,5-dimethoxyphenyl)methanamine is CCn1ncc(Br)c1C(N)c1cc(OC)cc(OC)c1.
What is the InChIKey of (4-bromo-1-ethylpyrazol-5-yl)-(3,5-dimethoxyphenyl)methanamine?
The InChIKey is LYLURIFOTLYYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-4-18-14(12(15)8-17-18)13(16)9-5-10(19-2)7-11(6-9)20-3/h5-8,13H,4,16H2,1-3H3.
What are the key properties of (4-bromo-1-ethylpyrazol-5-yl)-(3,5-dimethoxyphenyl)methanamine?
(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dimethoxyphenyl)methanamine has a molecular weight of 340.22 g/mol, XLogP of 2.73, 5 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)-(3,5-dimethoxyphenyl)methanamine is sourced from PubChem (CID 105040325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).