N-[(5-bromothiophen-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine

C11H14BrN3S — CID 43435001

IUPACN-[(5-bromothiophen-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCC(Cn1cccn1)NCc1csc(Br)c1
InChIInChI=1S/C11H14BrN3S/c1-9(7-15-4-2-3-14-15)13-6-10-5-11(12)16-8-10/h2-5,8-9,13H,6-7H2,1H3
InChIKeyYICZJRFXMWAGGB-UHFFFAOYSA-N
MW300.23 g/mol
LogP2.89
Rot. Bonds5

About N-[(5-bromothiophen-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine

N-[(5-bromothiophen-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine (PubChem CID 43435001) has the molecular formula C11H14BrN3S and a molecular weight of 300.23 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
PubChem CID43435001
Molecular FormulaC11H14BrN3S
Molecular Weight300.23 g/mol
Exact Mass299.01
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCC(Cn1cccn1)NCc1csc(Br)c1
InChIInChI=1S/C11H14BrN3S/c1-9(7-15-4-2-3-14-15)13-6-10-5-11(12)16-8-10/h2-5,8-9,13H,6-7H2,1H3
InChIKeyYICZJRFXMWAGGB-UHFFFAOYSA-N
XLogP2.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine (CID 43435001) is N-[(5-bromothiophen-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine is CC(Cn1cccn1)NCc1csc(Br)c1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The InChIKey is YICZJRFXMWAGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3S/c1-9(7-15-4-2-3-14-15)13-6-10-5-11(12)16-8-10/h2-5,8-9,13H,6-7H2,1H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
N-[(5-bromothiophen-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine has a molecular weight of 300.23 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine is sourced from PubChem (CID 43435001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).