3-(2,5-dibromothiophen-3-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine

C12H9Br2N3S2 — CID 107962694

IUPAC3-(2,5-dibromothiophen-3-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine
SMILESCn1nc(-c2cc(Br)sc2Br)c(-c2cccs2)c1N
InChIInChI=1S/C12H9Br2N3S2/c1-17-12(15)9(7-3-2-4-18-7)10(16-17)6-5-8(13)19-11(6)14/h2-5H,15H2,1H3
InChIKeyHBMILWFJVPVLCD-UHFFFAOYSA-N
MW419.17 g/mol
LogP4.98
Rot. Bonds2

About 3-(2,5-dibromothiophen-3-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine

3-(2,5-dibromothiophen-3-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine (PubChem CID 107962694) has the molecular formula C12H9Br2N3S2 and a molecular weight of 419.17 g/mol. Its IUPAC name is 3-(2,5-dibromothiophen-3-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name3-(2,5-dibromothiophen-3-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine
PubChem CID107962694
Molecular FormulaC12H9Br2N3S2
Molecular Weight419.17 g/mol
Exact Mass416.86
IUPAC Name3-(2,5-dibromothiophen-3-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine
SMILESCn1nc(-c2cc(Br)sc2Br)c(-c2cccs2)c1N
InChIInChI=1S/C12H9Br2N3S2/c1-17-12(15)9(7-3-2-4-18-7)10(16-17)6-5-8(13)19-11(6)14/h2-5H,15H2,1H3
InChIKeyHBMILWFJVPVLCD-UHFFFAOYSA-N
XLogP4.98
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.17
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-bromothiophen-2-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine
CID 55079033
4-(3-chlorophenyl)-3-(2,5-dibromothiophen-3-yl)-1-methylpyrazol-5-amine
CID 107962606
3-(2-methoxy-5-methylphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine
CID 62504567
4-(4-bromophenyl)-1-methyl-3-thiophen-2-ylpyrazol-5-amine
CID 43336416
3-(4-chloro-2-methoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine
CID 62500518
1-methyl-4-thiophen-2-yl-3-thiophen-3-ylpyrazol-5-amine
CID 62501208
3-(2-ethoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine
CID 62501713
3-(1-benzofuran-2-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine
CID 62503065
1,4-dimethyl-3-thiophen-2-ylpyrazol-5-amine
CID 4737047
3-(5-bromo-4-methylthiophen-2-yl)-1-methyl-4-phenylpyrazol-5-amine
CID 79990533
3-(5-bromo-4-methylthiophen-2-yl)-4-(2-fluorophenyl)-1-methylpyrazol-5-amine
CID 79977683
1-methyl-3-octyl-4-thiophen-2-ylpyrazol-5-amine
CID 65428257

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dibromothiophen-3-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine?
The IUPAC name of 3-(2,5-dibromothiophen-3-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine (CID 107962694) is 3-(2,5-dibromothiophen-3-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine.
What is the SMILES notation for 3-(2,5-dibromothiophen-3-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine?
The canonical SMILES for 3-(2,5-dibromothiophen-3-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine is Cn1nc(-c2cc(Br)sc2Br)c(-c2cccs2)c1N.
What is the InChIKey of 3-(2,5-dibromothiophen-3-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine?
The InChIKey is HBMILWFJVPVLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2N3S2/c1-17-12(15)9(7-3-2-4-18-7)10(16-17)6-5-8(13)19-11(6)14/h2-5H,15H2,1H3.
What are the key properties of 3-(2,5-dibromothiophen-3-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine?
3-(2,5-dibromothiophen-3-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine has a molecular weight of 419.17 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dibromothiophen-3-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine is sourced from PubChem (CID 107962694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).