4-bromo-3-(4-bromothiophen-2-yl)-1-methylpyrazol-5-amine

C8H7Br2N3S — CID 84611020

IUPAC4-bromo-3-(4-bromothiophen-2-yl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2cc(Br)cs2)c(Br)c1N
InChIInChI=1S/C8H7Br2N3S/c1-13-8(11)6(10)7(12-13)5-2-4(9)3-14-5/h2-3H,11H2,1H3
InChIKeyHVAJMAMYNJOVLN-UHFFFAOYSA-N
MW337.04 g/mol
LogP3.26
Rot. Bonds1

About 4-bromo-3-(4-bromothiophen-2-yl)-1-methylpyrazol-5-amine

4-bromo-3-(4-bromothiophen-2-yl)-1-methylpyrazol-5-amine (PubChem CID 84611020) has the molecular formula C8H7Br2N3S and a molecular weight of 337.04 g/mol. Its IUPAC name is 4-bromo-3-(4-bromothiophen-2-yl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-bromo-3-(4-bromothiophen-2-yl)-1-methylpyrazol-5-amine
PubChem CID84611020
Molecular FormulaC8H7Br2N3S
Molecular Weight337.04 g/mol
Exact Mass334.87
IUPAC Name4-bromo-3-(4-bromothiophen-2-yl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2cc(Br)cs2)c(Br)c1N
InChIInChI=1S/C8H7Br2N3S/c1-13-8(11)6(10)7(12-13)5-2-4(9)3-14-5/h2-3H,11H2,1H3
InChIKeyHVAJMAMYNJOVLN-UHFFFAOYSA-N
XLogP3.26
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.04
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(4-bromothiophen-2-yl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-bromo-3-(4-bromothiophen-2-yl)-1-methylpyrazol-5-amine (CID 84611020) is 4-bromo-3-(4-bromothiophen-2-yl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-bromo-3-(4-bromothiophen-2-yl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-bromo-3-(4-bromothiophen-2-yl)-1-methylpyrazol-5-amine is Cn1nc(-c2cc(Br)cs2)c(Br)c1N.
What is the InChIKey of 4-bromo-3-(4-bromothiophen-2-yl)-1-methylpyrazol-5-amine?
The InChIKey is HVAJMAMYNJOVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2N3S/c1-13-8(11)6(10)7(12-13)5-2-4(9)3-14-5/h2-3H,11H2,1H3.
What are the key properties of 4-bromo-3-(4-bromothiophen-2-yl)-1-methylpyrazol-5-amine?
4-bromo-3-(4-bromothiophen-2-yl)-1-methylpyrazol-5-amine has a molecular weight of 337.04 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(4-bromothiophen-2-yl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 84611020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).