N-[(5-bromothiophen-3-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine

C11H14BrN3S — CID 103135400

IUPACN-[(5-bromothiophen-3-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1csc(Br)c1)c1ccn(C)n1
InChIInChI=1S/C11H14BrN3S/c1-3-13-11(8-6-10(12)16-7-8)9-4-5-15(2)14-9/h4-7,11,13H,3H2,1-2H3
InChIKeyWXDMAVXHUXHOMY-UHFFFAOYSA-N
MW300.23 g/mol
LogP2.94
Rot. Bonds4

About N-[(5-bromothiophen-3-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine

N-[(5-bromothiophen-3-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine (PubChem CID 103135400) has the molecular formula C11H14BrN3S and a molecular weight of 300.23 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine
PubChem CID103135400
Molecular FormulaC11H14BrN3S
Molecular Weight300.23 g/mol
Exact Mass299.01
IUPAC NameN-[(5-bromothiophen-3-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1csc(Br)c1)c1ccn(C)n1
InChIInChI=1S/C11H14BrN3S/c1-3-13-11(8-6-10(12)16-7-8)9-4-5-15(2)14-9/h4-7,11,13H,3H2,1-2H3
InChIKeyWXDMAVXHUXHOMY-UHFFFAOYSA-N
XLogP2.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromothiophen-3-yl)-(1-methylpyrazol-3-yl)methanamine
CID 103135151
N-[(1-methylpyrazol-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 65200804
N-[(2-bromo-5-methylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103135736
N-[(1-methylpyrazol-3-yl)-thiophen-2-ylmethyl]ethanamine
CID 65200220
N-[(2-bromo-5-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103134953
N-[(3-bromofuran-2-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 65200330
N-[(5-bromothiophen-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 105098243
N-[[4-bromo-2-(trifluoromethyl)phenyl]-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103130800
N-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 65200228
N-[(3-bromo-2-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 106645665
N-[(3-bromo-2,6-difluorophenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 106942577
N-[(3-bromo-4-methylphenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103135450

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(5-bromothiophen-3-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine (CID 103135400) is N-[(5-bromothiophen-3-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine is CCNC(c1csc(Br)c1)c1ccn(C)n1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is WXDMAVXHUXHOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3S/c1-3-13-11(8-6-10(12)16-7-8)9-4-5-15(2)14-9/h4-7,11,13H,3H2,1-2H3.
What are the key properties of N-[(5-bromothiophen-3-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine?
N-[(5-bromothiophen-3-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 300.23 g/mol, XLogP of 2.94, 4 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)-(1-methylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 103135400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).