1-(5-bromofuran-2-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine

C11H14BrN3O — CID 115857997

IUPAC1-(5-bromofuran-2-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
SMILESCCn1nccc1C(NC)c1ccc(Br)o1
InChIInChI=1S/C11H14BrN3O/c1-3-15-8(6-7-14-15)11(13-2)9-4-5-10(12)16-9/h4-7,11,13H,3H2,1-2H3
InChIKeyOIDCSDRFIUZKQP-UHFFFAOYSA-N
MW284.16 g/mol
LogP2.57
Rot. Bonds4

About 1-(5-bromofuran-2-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine

1-(5-bromofuran-2-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine (PubChem CID 115857997) has the molecular formula C11H14BrN3O and a molecular weight of 284.16 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
PubChem CID115857997
Molecular FormulaC11H14BrN3O
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name1-(5-bromofuran-2-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
SMILESCCn1nccc1C(NC)c1ccc(Br)o1
InChIInChI=1S/C11H14BrN3O/c1-3-15-8(6-7-14-15)11(13-2)9-4-5-10(12)16-9/h4-7,11,13H,3H2,1-2H3
InChIKeyOIDCSDRFIUZKQP-UHFFFAOYSA-N
XLogP2.57
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromofuran-2-yl)-(2-ethylpyrazol-3-yl)methanol
CID 63976104
1-(2-ethylpyrazol-3-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 115858110
1-(2-ethylpyrazol-3-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 63977212
1-(2-ethylpyrazol-3-yl)-N-methyl-1-pyridazin-4-ylmethanamine
CID 105148456
1-(2-ethylpyrazol-3-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 115858049
1-(2-chloro-3-methylphenyl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
CID 115857986
1-(3-chloro-4-iodophenyl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
CID 103215300
1-(3,6-dimethylpyridazin-4-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
CID 105148320
[(5-bromofuran-2-yl)-(2-methylpyrazol-3-yl)methyl]hydrazine
CID 105307526
1-(2-ethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 81276228
1-(4-tert-butylthiadiazol-5-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
CID 105148452
1-(5-ethylfuran-2-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 115858790

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromofuran-2-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine (CID 115857997) is 1-(5-bromofuran-2-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine is CCn1nccc1C(NC)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine?
The InChIKey is OIDCSDRFIUZKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O/c1-3-15-8(6-7-14-15)11(13-2)9-4-5-10(12)16-9/h4-7,11,13H,3H2,1-2H3.
What are the key properties of 1-(5-bromofuran-2-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine?
1-(5-bromofuran-2-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine has a molecular weight of 284.16 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine is sourced from PubChem (CID 115857997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).