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

C8H8BrN3S — CID 2474178

IUPAC2-[(5-bromothiophen-2-yl)methyl]pyrazol-3-amine
SMILESNc1ccnn1Cc1ccc(Br)s1
InChIInChI=1S/C8H8BrN3S/c9-7-2-1-6(13-7)5-12-8(10)3-4-11-12/h1-4H,5,10H2
InChIKeyLFIUCBDDKZDSMD-UHFFFAOYSA-N
MW258.14 g/mol
LogP2.34
Rot. Bonds2

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

2-[(5-bromothiophen-2-yl)methyl]pyrazol-3-amine (PubChem CID 2474178) has the molecular formula C8H8BrN3S and a molecular weight of 258.14 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)methyl]pyrazol-3-amine
PubChem CID2474178
Molecular FormulaC8H8BrN3S
Molecular Weight258.14 g/mol
Exact Mass256.96
IUPAC Name2-[(5-bromothiophen-2-yl)methyl]pyrazol-3-amine
SMILESNc1ccnn1Cc1ccc(Br)s1
InChIInChI=1S/C8H8BrN3S/c9-7-2-1-6(13-7)5-12-8(10)3-4-11-12/h1-4H,5,10H2
InChIKeyLFIUCBDDKZDSMD-UHFFFAOYSA-N
XLogP2.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.14
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)methyl]pyrazol-3-amine?
The IUPAC name of 2-[(5-bromothiophen-2-yl)methyl]pyrazol-3-amine (CID 2474178) is 2-[(5-bromothiophen-2-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)methyl]pyrazol-3-amine is Nc1ccnn1Cc1ccc(Br)s1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)methyl]pyrazol-3-amine?
The InChIKey is LFIUCBDDKZDSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3S/c9-7-2-1-6(13-7)5-12-8(10)3-4-11-12/h1-4H,5,10H2.
What are the key properties of 2-[(5-bromothiophen-2-yl)methyl]pyrazol-3-amine?
2-[(5-bromothiophen-2-yl)methyl]pyrazol-3-amine has a molecular weight of 258.14 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 2474178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).