(4-bromo-1-ethylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanamine

C11H14BrN3OS — CID 105040106

IUPAC(4-bromo-1-ethylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanamine
SMILESCCn1ncc(Br)c1C(N)c1sccc1OC
InChIInChI=1S/C11H14BrN3OS/c1-3-15-10(7(12)6-14-15)9(13)11-8(16-2)4-5-17-11/h4-6,9H,3,13H2,1-2H3
InChIKeyXZBZFYXAHMWCBZ-UHFFFAOYSA-N
MW316.22 g/mol
LogP2.78
Rot. Bonds4

About (4-bromo-1-ethylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanamine

(4-bromo-1-ethylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanamine (PubChem CID 105040106) has the molecular formula C11H14BrN3OS and a molecular weight of 316.22 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanamine
PubChem CID105040106
Molecular FormulaC11H14BrN3OS
Molecular Weight316.22 g/mol
Exact Mass315.00
IUPAC Name(4-bromo-1-ethylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanamine
SMILESCCn1ncc(Br)c1C(N)c1sccc1OC
InChIInChI=1S/C11H14BrN3OS/c1-3-15-10(7(12)6-14-15)9(13)11-8(16-2)4-5-17-11/h4-6,9H,3,13H2,1-2H3
InChIKeyXZBZFYXAHMWCBZ-UHFFFAOYSA-N
XLogP2.78
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.22
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-bromo-1-ethylpyrazol-5-yl)-(3-bromothiophen-2-yl)methanamine
CID 105040396
[(4-bromo-1-ethylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]hydrazine
CID 105336263
(4-bromo-1-ethylpyrazol-5-yl)-(3-chlorothiophen-2-yl)methanamine
CID 105040300
(1-ethyl-4-methoxypyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol
CID 115837106
[(3-bromothiophen-2-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105339439
(4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 105182878
(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dimethoxyphenyl)methanamine
CID 105040325
(4-chloro-1-methylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanamine
CID 105046501
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-methoxythiophen-2-yl)ethanamine
CID 104998127
(4-chloro-1-ethylpyrazol-5-yl)-(3-chlorothiophen-2-yl)methanamine
CID 105040808
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 114648152
(4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanamine
CID 114877972

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanamine?
The IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanamine (CID 105040106) is (4-bromo-1-ethylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanamine.
What is the SMILES notation for (4-bromo-1-ethylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanamine?
The canonical SMILES for (4-bromo-1-ethylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanamine is CCn1ncc(Br)c1C(N)c1sccc1OC.
What is the InChIKey of (4-bromo-1-ethylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanamine?
The InChIKey is XZBZFYXAHMWCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3OS/c1-3-15-10(7(12)6-14-15)9(13)11-8(16-2)4-5-17-11/h4-6,9H,3,13H2,1-2H3.
What are the key properties of (4-bromo-1-ethylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanamine?
(4-bromo-1-ethylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanamine has a molecular weight of 316.22 g/mol, XLogP of 2.78, 4 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-methoxythiophen-2-yl)methanamine is sourced from PubChem (CID 105040106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).