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

C8H8BrN3S — CID 43158864

IUPAC3-(5-bromothiophen-2-yl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccc(Br)s2)cc1N
InChIInChI=1S/C8H8BrN3S/c1-12-8(10)4-5(11-12)6-2-3-7(9)13-6/h2-4H,10H2,1H3
InChIKeyFMUXQMTZGTXPDB-UHFFFAOYSA-N
MW258.14 g/mol
LogP2.49
Rot. Bonds1

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

3-(5-bromothiophen-2-yl)-1-methylpyrazol-5-amine (PubChem CID 43158864) has the molecular formula C8H8BrN3S and a molecular weight of 258.14 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-1-methylpyrazol-5-amine
PubChem CID43158864
Molecular FormulaC8H8BrN3S
Molecular Weight258.14 g/mol
Exact Mass256.96
IUPAC Name3-(5-bromothiophen-2-yl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccc(Br)s2)cc1N
InChIInChI=1S/C8H8BrN3S/c1-12-8(10)4-5(11-12)6-2-3-7(9)13-6/h2-4H,10H2,1H3
InChIKeyFMUXQMTZGTXPDB-UHFFFAOYSA-N
XLogP2.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.14
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine
CID 2735377
3-Methyl-1-(2-thienylmethyl)-1H-pyrazol-5-amine
CID 3154161
1-methyl-3-(thiophen-3-yl)-1H-pyrazol-5-amine
CID 33783468
1-[(5-bromothiophen-2-yl)methyl]-1H-pyrazol-5-amine
CID 2474178
5-Methyl-2-[(5-methylthiophen-2-yl)methyl]pyrazol-3-amine
CID 61733741
3-(5-Bromo-2-thienyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole
CID 2780596
3-(5-Bromothiophen-2-yl)-4-(4-fluorophenyl)-1-methylpyrazol-5-amine
CID 43336483
3-(5-Bromothiophen-2-yl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine
CID 43336603
3-(5-Bromothiophen-2-yl)-4-(3,5-difluorophenyl)-1-methylpyrazol-5-amine
CID 61496705
3-(5-Bromothiophen-2-yl)-4-(2-fluorophenyl)-1-methylpyrazol-5-amine
CID 61552714
3-(4-Bromo-3-fluorophenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine
CID 62500692
3-(2-Bromo-4-fluorophenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine
CID 62500693

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(5-bromothiophen-2-yl)-1-methylpyrazol-5-amine (CID 43158864) is 3-(5-bromothiophen-2-yl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-1-methylpyrazol-5-amine is Cn1nc(-c2ccc(Br)s2)cc1N.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-1-methylpyrazol-5-amine?
The InChIKey is FMUXQMTZGTXPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3S/c1-12-8(10)4-5(11-12)6-2-3-7(9)13-6/h2-4H,10H2,1H3.
What are the key properties of 3-(5-bromothiophen-2-yl)-1-methylpyrazol-5-amine?
3-(5-bromothiophen-2-yl)-1-methylpyrazol-5-amine has a molecular weight of 258.14 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 43158864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).