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

C8H8BrN3S — CID 115380251

IUPAC2-[(3-bromothiophen-2-yl)methyl]pyrazol-3-amine
SMILESNc1ccnn1Cc1sccc1Br
InChIInChI=1S/C8H8BrN3S/c9-6-2-4-13-7(6)5-12-8(10)1-3-11-12/h1-4H,5,10H2
InChIKeyUUUOVLWGNNSSGR-UHFFFAOYSA-N
MW258.14 g/mol
LogP2.34
Rot. Bonds2

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

2-[(3-bromothiophen-2-yl)methyl]pyrazol-3-amine (PubChem CID 115380251) has the molecular formula C8H8BrN3S and a molecular weight of 258.14 g/mol. Its IUPAC name is 2-[(3-bromothiophen-2-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name2-[(3-bromothiophen-2-yl)methyl]pyrazol-3-amine
PubChem CID115380251
Molecular FormulaC8H8BrN3S
Molecular Weight258.14 g/mol
Exact Mass256.96
IUPAC Name2-[(3-bromothiophen-2-yl)methyl]pyrazol-3-amine
SMILESNc1ccnn1Cc1sccc1Br
InChIInChI=1S/C8H8BrN3S/c9-6-2-4-13-7(6)5-12-8(10)1-3-11-12/h1-4H,5,10H2
InChIKeyUUUOVLWGNNSSGR-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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Related Compounds

1-[(3-bromothiophen-2-yl)methyl]-5-cyclopropyltriazol-4-amine
CID 79547319
1-[1-[(3-bromothiophen-2-yl)methyl]tetrazol-5-yl]ethanamine
CID 103086610
4-[1-[(3-bromothiophen-2-yl)methyl]pyrazol-4-yl]aniline
CID 55201321
2-[(3-bromothiophen-2-yl)methyl]-5-(dimethylamino)pyridazin-3-one
CID 114396887
2-[(3-bromothiophen-2-yl)methyl]-1,2-oxazol-3-one
CID 130667819
[1-[(3-bromothiophen-2-yl)methyl]imidazol-2-yl]methanol
CID 62222283
2-methylpropyl 1-[(3-bromothiophen-2-yl)methyl]-5-methyltriazole-4-carboxylate
CID 103112821
1-[1-[(3-bromothiophen-2-yl)methyl]imidazol-2-yl]propan-2-amine
CID 63095648
2-[(3-bromothiophen-2-yl)methyl]oxazinane
CID 130735612
5-bromo-3-[(3-bromothiophen-2-yl)methyl]-6-methylpyrimidin-4-one
CID 66310030
1-[(3-bromothiophen-2-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine
CID 83212288
4-(bromomethyl)-1-[(3-bromothiophen-2-yl)methyl]triazole
CID 62400291

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromothiophen-2-yl)methyl]pyrazol-3-amine?
The IUPAC name of 2-[(3-bromothiophen-2-yl)methyl]pyrazol-3-amine (CID 115380251) is 2-[(3-bromothiophen-2-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 2-[(3-bromothiophen-2-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 2-[(3-bromothiophen-2-yl)methyl]pyrazol-3-amine is Nc1ccnn1Cc1sccc1Br.
What is the InChIKey of 2-[(3-bromothiophen-2-yl)methyl]pyrazol-3-amine?
The InChIKey is UUUOVLWGNNSSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3S/c9-6-2-4-13-7(6)5-12-8(10)1-3-11-12/h1-4H,5,10H2.
What are the key properties of 2-[(3-bromothiophen-2-yl)methyl]pyrazol-3-amine?
2-[(3-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-[(3-bromothiophen-2-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 115380251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).