N-[(3-bromofuran-2-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine

C11H14BrN3O — CID 65200330

IUPACN-[(3-bromofuran-2-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1ccn(C)n1)c1occc1Br
InChIInChI=1S/C11H14BrN3O/c1-3-13-10(9-4-6-15(2)14-9)11-8(12)5-7-16-11/h4-7,10,13H,3H2,1-2H3
InChIKeyPDZFTYBUTVZIHX-UHFFFAOYSA-N
MW284.16 g/mol
LogP2.47
Rot. Bonds4

About N-[(3-bromofuran-2-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine

N-[(3-bromofuran-2-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine (PubChem CID 65200330) has the molecular formula C11H14BrN3O and a molecular weight of 284.16 g/mol. Its IUPAC name is N-[(3-bromofuran-2-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromofuran-2-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine
PubChem CID65200330
Molecular FormulaC11H14BrN3O
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC NameN-[(3-bromofuran-2-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1ccn(C)n1)c1occc1Br
InChIInChI=1S/C11H14BrN3O/c1-3-13-10(9-4-6-15(2)14-9)11-8(12)5-7-16-11/h4-7,10,13H,3H2,1-2H3
InChIKeyPDZFTYBUTVZIHX-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromofuran-2-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(3-bromofuran-2-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine (CID 65200330) is N-[(3-bromofuran-2-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromofuran-2-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromofuran-2-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine is CCNC(c1ccn(C)n1)c1occc1Br.
What is the InChIKey of N-[(3-bromofuran-2-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is PDZFTYBUTVZIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O/c1-3-13-10(9-4-6-15(2)14-9)11-8(12)5-7-16-11/h4-7,10,13H,3H2,1-2H3.
What are the key properties of N-[(3-bromofuran-2-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine?
N-[(3-bromofuran-2-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 284.16 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromofuran-2-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 65200330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).