(5-bromofuran-2-yl)-[2-(2-methoxyethyl)pyrazol-3-yl]methanamine

C11H14BrN3O2 — CID 114277900

IUPAC(5-bromofuran-2-yl)-[2-(2-methoxyethyl)pyrazol-3-yl]methanamine
SMILESCOCCn1nccc1C(N)c1ccc(Br)o1
InChIInChI=1S/C11H14BrN3O2/c1-16-7-6-15-8(4-5-14-15)11(13)9-2-3-10(12)17-9/h2-5,11H,6-7,13H2,1H3
InChIKeyXHFCIKQPYXSKCC-UHFFFAOYSA-N
MW300.16 g/mol
LogP1.93
Rot. Bonds5

About (5-bromofuran-2-yl)-[2-(2-methoxyethyl)pyrazol-3-yl]methanamine

(5-bromofuran-2-yl)-[2-(2-methoxyethyl)pyrazol-3-yl]methanamine (PubChem CID 114277900) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-[2-(2-methoxyethyl)pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-[2-(2-methoxyethyl)pyrazol-3-yl]methanamine
PubChem CID114277900
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name(5-bromofuran-2-yl)-[2-(2-methoxyethyl)pyrazol-3-yl]methanamine
SMILESCOCCn1nccc1C(N)c1ccc(Br)o1
InChIInChI=1S/C11H14BrN3O2/c1-16-7-6-15-8(4-5-14-15)11(13)9-2-3-10(12)17-9/h2-5,11H,6-7,13H2,1H3
InChIKeyXHFCIKQPYXSKCC-UHFFFAOYSA-N
XLogP1.93
TPSA66.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methoxyethyl)pyrazol-3-yl]-(2-methylphenyl)methanamine
CID 114277789
[2-(2-methoxyethyl)pyrazol-3-yl]-(3-methylthiophen-2-yl)methanamine
CID 114277911
(3-bromothiophen-2-yl)-[2-(3-methoxypropyl)pyrazol-3-yl]methanamine
CID 114278098
2-methoxy-1-(2-propylpyrazol-3-yl)ethanamine
CID 63974690
3-[2-(2-methoxyethyl)pyrazol-3-yl]-N-propan-2-ylbutan-2-amine
CID 114277839
(5-bromofuran-2-yl)-(2-ethylpyrazol-3-yl)methanol
CID 63976104
[(4-iodophenyl)-[2-(2-methoxyethyl)pyrazol-3-yl]methyl]hydrazine
CID 114277964
(2-bromo-5-methoxyphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 105148079
1-(5-bromofuran-2-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
CID 115857997
2-[5-[amino-(5-bromofuran-2-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 105039087
N-ethyl-2-methoxy-1-[2-(2-methoxyethyl)pyrazol-3-yl]-2-methylpropan-1-amine
CID 114277804
[(5-bromofuran-2-yl)-(2-methylpyrazol-3-yl)methyl]hydrazine
CID 105307526

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-[2-(2-methoxyethyl)pyrazol-3-yl]methanamine?
The IUPAC name of (5-bromofuran-2-yl)-[2-(2-methoxyethyl)pyrazol-3-yl]methanamine (CID 114277900) is (5-bromofuran-2-yl)-[2-(2-methoxyethyl)pyrazol-3-yl]methanamine.
What is the SMILES notation for (5-bromofuran-2-yl)-[2-(2-methoxyethyl)pyrazol-3-yl]methanamine?
The canonical SMILES for (5-bromofuran-2-yl)-[2-(2-methoxyethyl)pyrazol-3-yl]methanamine is COCCn1nccc1C(N)c1ccc(Br)o1.
What is the InChIKey of (5-bromofuran-2-yl)-[2-(2-methoxyethyl)pyrazol-3-yl]methanamine?
The InChIKey is XHFCIKQPYXSKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c1-16-7-6-15-8(4-5-14-15)11(13)9-2-3-10(12)17-9/h2-5,11H,6-7,13H2,1H3.
What are the key properties of (5-bromofuran-2-yl)-[2-(2-methoxyethyl)pyrazol-3-yl]methanamine?
(5-bromofuran-2-yl)-[2-(2-methoxyethyl)pyrazol-3-yl]methanamine has a molecular weight of 300.16 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-[2-(2-methoxyethyl)pyrazol-3-yl]methanamine is sourced from PubChem (CID 114277900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).