[1-(2-bromophenyl)-5-methylpyrazol-3-yl]methanamine

C11H12BrN3 — CID 82091921

IUPAC[1-(2-bromophenyl)-5-methylpyrazol-3-yl]methanamine
SMILESCc1cc(CN)nn1-c1ccccc1Br
InChIInChI=1S/C11H12BrN3/c1-8-6-9(7-13)14-15(8)11-5-3-2-4-10(11)12/h2-6H,7,13H2,1H3
InChIKeyFONPMXVSCVQOQH-UHFFFAOYSA-N
MW266.14 g/mol
LogP2.40
Rot. Bonds2

About [1-(2-bromophenyl)-5-methylpyrazol-3-yl]methanamine

[1-(2-bromophenyl)-5-methylpyrazol-3-yl]methanamine (PubChem CID 82091921) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is [1-(2-bromophenyl)-5-methylpyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2-bromophenyl)-5-methylpyrazol-3-yl]methanamine
PubChem CID82091921
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC Name[1-(2-bromophenyl)-5-methylpyrazol-3-yl]methanamine
SMILESCc1cc(CN)nn1-c1ccccc1Br
InChIInChI=1S/C11H12BrN3/c1-8-6-9(7-13)14-15(8)11-5-3-2-4-10(11)12/h2-6H,7,13H2,1H3
InChIKeyFONPMXVSCVQOQH-UHFFFAOYSA-N
XLogP2.40
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-chloro-2-methylphenyl)-5-methylpyrazol-3-yl]methanamine
CID 82083524
[1-(4-bromo-3-methylphenyl)-5-methylpyrazol-3-yl]methanamine
CID 82093871
1-(2-bromophenyl)-3-ethylpyrazol-5-amine
CID 82091920
2-[1-(2-bromophenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82489373
1-(2-bromophenyl)-N-ethyl-5-methylpyrazole-3-carboxamide
CID 165489148
1-(2-bromophenyl)-6-methyl-4-oxopyridazine-3-carbonitrile
CID 82422026
[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]methanamine
CID 82076540
[1-(2-bromophenyl)-2,5-dimethylpyrrol-3-yl]methanamine
CID 20983267
2-[1-(3-bromophenyl)-5-methylpyrazol-3-yl]ethanamine
CID 82093865
3-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
CID 79224848
4-[3-(aminomethyl)-5-methylpyrazol-1-yl]phenol
CID 115022979
3-(chloromethyl)-1-(2-fluorophenyl)-5-methylpyrazole
CID 82128124

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromophenyl)-5-methylpyrazol-3-yl]methanamine?
The IUPAC name of [1-(2-bromophenyl)-5-methylpyrazol-3-yl]methanamine (CID 82091921) is [1-(2-bromophenyl)-5-methylpyrazol-3-yl]methanamine.
What is the SMILES notation for [1-(2-bromophenyl)-5-methylpyrazol-3-yl]methanamine?
The canonical SMILES for [1-(2-bromophenyl)-5-methylpyrazol-3-yl]methanamine is Cc1cc(CN)nn1-c1ccccc1Br.
What is the InChIKey of [1-(2-bromophenyl)-5-methylpyrazol-3-yl]methanamine?
The InChIKey is FONPMXVSCVQOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c1-8-6-9(7-13)14-15(8)11-5-3-2-4-10(11)12/h2-6H,7,13H2,1H3.
What are the key properties of [1-(2-bromophenyl)-5-methylpyrazol-3-yl]methanamine?
[1-(2-bromophenyl)-5-methylpyrazol-3-yl]methanamine has a molecular weight of 266.14 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromophenyl)-5-methylpyrazol-3-yl]methanamine is sourced from PubChem (CID 82091921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).