[4-bromo-3-(5-bromothiophen-2-yl)-1H-pyrazol-5-yl]methanamine

C8H7Br2N3S — CID 84611015

IUPAC[4-bromo-3-(5-bromothiophen-2-yl)-1H-pyrazol-5-yl]methanamine
SMILESNCc1[nH]nc(-c2ccc(Br)s2)c1Br
InChIInChI=1S/C8H7Br2N3S/c9-6-2-1-5(14-6)8-7(10)4(3-11)12-13-8/h1-2H,3,11H2,(H,12,13)
InChIKeyIPXSNOYBAYZWNU-UHFFFAOYSA-N
MW337.04 g/mol
LogP3.12
Rot. Bonds2

About [4-bromo-3-(5-bromothiophen-2-yl)-1H-pyrazol-5-yl]methanamine

[4-bromo-3-(5-bromothiophen-2-yl)-1H-pyrazol-5-yl]methanamine (PubChem CID 84611015) has the molecular formula C8H7Br2N3S and a molecular weight of 337.04 g/mol. Its IUPAC name is [4-bromo-3-(5-bromothiophen-2-yl)-1H-pyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-bromo-3-(5-bromothiophen-2-yl)-1H-pyrazol-5-yl]methanamine
PubChem CID84611015
Molecular FormulaC8H7Br2N3S
Molecular Weight337.04 g/mol
Exact Mass334.87
IUPAC Name[4-bromo-3-(5-bromothiophen-2-yl)-1H-pyrazol-5-yl]methanamine
SMILESNCc1[nH]nc(-c2ccc(Br)s2)c1Br
InChIInChI=1S/C8H7Br2N3S/c9-6-2-1-5(14-6)8-7(10)4(3-11)12-13-8/h1-2H,3,11H2,(H,12,13)
InChIKeyIPXSNOYBAYZWNU-UHFFFAOYSA-N
XLogP3.12
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.04
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-bromo-3-(5-bromothiophen-2-yl)-1H-pyrazol-5-yl]methanamine?
The IUPAC name of [4-bromo-3-(5-bromothiophen-2-yl)-1H-pyrazol-5-yl]methanamine (CID 84611015) is [4-bromo-3-(5-bromothiophen-2-yl)-1H-pyrazol-5-yl]methanamine.
What is the SMILES notation for [4-bromo-3-(5-bromothiophen-2-yl)-1H-pyrazol-5-yl]methanamine?
The canonical SMILES for [4-bromo-3-(5-bromothiophen-2-yl)-1H-pyrazol-5-yl]methanamine is NCc1[nH]nc(-c2ccc(Br)s2)c1Br.
What is the InChIKey of [4-bromo-3-(5-bromothiophen-2-yl)-1H-pyrazol-5-yl]methanamine?
The InChIKey is IPXSNOYBAYZWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2N3S/c9-6-2-1-5(14-6)8-7(10)4(3-11)12-13-8/h1-2H,3,11H2,(H,12,13).
What are the key properties of [4-bromo-3-(5-bromothiophen-2-yl)-1H-pyrazol-5-yl]methanamine?
[4-bromo-3-(5-bromothiophen-2-yl)-1H-pyrazol-5-yl]methanamine has a molecular weight of 337.04 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-3-(5-bromothiophen-2-yl)-1H-pyrazol-5-yl]methanamine is sourced from PubChem (CID 84611015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).