[3-(4-bromothiophen-2-yl)-5-methyl-1H-pyrazol-4-yl]methanamine

C9H10BrN3S — CID 82488409

IUPAC[3-(4-bromothiophen-2-yl)-5-methyl-1H-pyrazol-4-yl]methanamine
SMILESCc1[nH]nc(-c2cc(Br)cs2)c1CN
InChIInChI=1S/C9H10BrN3S/c1-5-7(3-11)9(13-12-5)8-2-6(10)4-14-8/h2,4H,3,11H2,1H3,(H,12,13)
InChIKeySVHSDUZOVBSHTH-UHFFFAOYSA-N
MW272.17 g/mol
LogP2.67
Rot. Bonds2

About [3-(4-bromothiophen-2-yl)-5-methyl-1H-pyrazol-4-yl]methanamine

[3-(4-bromothiophen-2-yl)-5-methyl-1H-pyrazol-4-yl]methanamine (PubChem CID 82488409) has the molecular formula C9H10BrN3S and a molecular weight of 272.17 g/mol. Its IUPAC name is [3-(4-bromothiophen-2-yl)-5-methyl-1H-pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-(4-bromothiophen-2-yl)-5-methyl-1H-pyrazol-4-yl]methanamine
PubChem CID82488409
Molecular FormulaC9H10BrN3S
Molecular Weight272.17 g/mol
Exact Mass270.98
IUPAC Name[3-(4-bromothiophen-2-yl)-5-methyl-1H-pyrazol-4-yl]methanamine
SMILESCc1[nH]nc(-c2cc(Br)cs2)c1CN
InChIInChI=1S/C9H10BrN3S/c1-5-7(3-11)9(13-12-5)8-2-6(10)4-14-8/h2,4H,3,11H2,1H3,(H,12,13)
InChIKeySVHSDUZOVBSHTH-UHFFFAOYSA-N
XLogP2.67
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromothiophen-2-yl)-5-methyl-1H-pyrazole
CID 116856607
[6-(4-bromothiophen-2-yl)-2-methylpyrimidin-4-yl]methanamine
CID 116857651
[5-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]methanamine
CID 82477540
[5-methyl-3-[4-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methanamine
CID 82478232
5-(4-bromothiophen-2-yl)-1H-pyrazol-3-amine
CID 82478306
2-[3-(4-bromothiophen-2-yl)-1H-pyrazol-5-yl]ethanamine
CID 82488410
[3-(2-methoxy-5-methylphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine
CID 82474858
[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine
CID 54851145
2-[3-(4-bromophenyl)-5-methyl-1H-pyrazol-4-yl]ethanamine
CID 82489297
2-[4-(4-bromothiophen-2-yl)-2-methylimidazol-1-yl]ethanamine
CID 82307623
[5-methyl-3-[2-(2-phenylethoxy)phenyl]-1H-pyrazol-4-yl]methanamine
CID 54850620
[5-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methanamine
CID 82484193

Frequently Asked Questions

What is the IUPAC name of [3-(4-bromothiophen-2-yl)-5-methyl-1H-pyrazol-4-yl]methanamine?
The IUPAC name of [3-(4-bromothiophen-2-yl)-5-methyl-1H-pyrazol-4-yl]methanamine (CID 82488409) is [3-(4-bromothiophen-2-yl)-5-methyl-1H-pyrazol-4-yl]methanamine.
What is the SMILES notation for [3-(4-bromothiophen-2-yl)-5-methyl-1H-pyrazol-4-yl]methanamine?
The canonical SMILES for [3-(4-bromothiophen-2-yl)-5-methyl-1H-pyrazol-4-yl]methanamine is Cc1[nH]nc(-c2cc(Br)cs2)c1CN.
What is the InChIKey of [3-(4-bromothiophen-2-yl)-5-methyl-1H-pyrazol-4-yl]methanamine?
The InChIKey is SVHSDUZOVBSHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3S/c1-5-7(3-11)9(13-12-5)8-2-6(10)4-14-8/h2,4H,3,11H2,1H3,(H,12,13).
What are the key properties of [3-(4-bromothiophen-2-yl)-5-methyl-1H-pyrazol-4-yl]methanamine?
[3-(4-bromothiophen-2-yl)-5-methyl-1H-pyrazol-4-yl]methanamine has a molecular weight of 272.17 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromothiophen-2-yl)-5-methyl-1H-pyrazol-4-yl]methanamine is sourced from PubChem (CID 82488409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).