[1-(4-bromo-3-methylphenyl)-5-methylpyrazol-3-yl]methanamine

C12H14BrN3 — CID 82093871

IUPAC[1-(4-bromo-3-methylphenyl)-5-methylpyrazol-3-yl]methanamine
SMILESCc1cc(-n2nc(CN)cc2C)ccc1Br
InChIInChI=1S/C12H14BrN3/c1-8-5-11(3-4-12(8)13)16-9(2)6-10(7-14)15-16/h3-6H,7,14H2,1-2H3
InChIKeyAMYJZGZZBHBFLF-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.71
Rot. Bonds2

About [1-(4-bromo-3-methylphenyl)-5-methylpyrazol-3-yl]methanamine

[1-(4-bromo-3-methylphenyl)-5-methylpyrazol-3-yl]methanamine (PubChem CID 82093871) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is [1-(4-bromo-3-methylphenyl)-5-methylpyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(4-bromo-3-methylphenyl)-5-methylpyrazol-3-yl]methanamine
PubChem CID82093871
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name[1-(4-bromo-3-methylphenyl)-5-methylpyrazol-3-yl]methanamine
SMILESCc1cc(-n2nc(CN)cc2C)ccc1Br
InChIInChI=1S/C12H14BrN3/c1-8-5-11(3-4-12(8)13)16-9(2)6-10(7-14)15-16/h3-6H,7,14H2,1-2H3
InChIKeyAMYJZGZZBHBFLF-UHFFFAOYSA-N
XLogP2.71
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(aminomethyl)-5-methylpyrazol-1-yl]phenol
CID 115022979
[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]methanamine
CID 82076540
2-[1-(4-bromo-3-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82490017
2-[1-(3-bromo-4-methylphenyl)-5-methylpyrazol-3-yl]acetonitrile
CID 82094251
[1-(2-bromophenyl)-5-methylpyrazol-3-yl]methanamine
CID 82091921
5-(aminomethyl)-2-(4-bromo-3-methylphenyl)-6-propan-2-ylpyridazin-3-one
CID 84610573
2-[1-(4-bromo-3-methylphenyl)-5-methylpyrazol-3-yl]-2-methylpropanoic acid
CID 116818391
2-[1-(3-bromophenyl)-5-methylpyrazol-3-yl]ethanamine
CID 82093865
5-amino-1-(4-bromo-3-methylphenyl)pyrazole-3-carboxylic acid
CID 82124593
2-[1-(4-bromo-3-methylphenyl)pyrazol-3-yl]-2-methylpropan-1-amine
CID 116818434
3-(aminomethyl)-1-(4-bromophenyl)-6-methylpyridazin-4-one
CID 82419304
[1-(4-bromo-3-methylphenyl)-5-methyltriazol-4-yl]methanol
CID 112707778

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-3-methylphenyl)-5-methylpyrazol-3-yl]methanamine?
The IUPAC name of [1-(4-bromo-3-methylphenyl)-5-methylpyrazol-3-yl]methanamine (CID 82093871) is [1-(4-bromo-3-methylphenyl)-5-methylpyrazol-3-yl]methanamine.
What is the SMILES notation for [1-(4-bromo-3-methylphenyl)-5-methylpyrazol-3-yl]methanamine?
The canonical SMILES for [1-(4-bromo-3-methylphenyl)-5-methylpyrazol-3-yl]methanamine is Cc1cc(-n2nc(CN)cc2C)ccc1Br.
What is the InChIKey of [1-(4-bromo-3-methylphenyl)-5-methylpyrazol-3-yl]methanamine?
The InChIKey is AMYJZGZZBHBFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-8-5-11(3-4-12(8)13)16-9(2)6-10(7-14)15-16/h3-6H,7,14H2,1-2H3.
What are the key properties of [1-(4-bromo-3-methylphenyl)-5-methylpyrazol-3-yl]methanamine?
[1-(4-bromo-3-methylphenyl)-5-methylpyrazol-3-yl]methanamine has a molecular weight of 280.17 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-3-methylphenyl)-5-methylpyrazol-3-yl]methanamine is sourced from PubChem (CID 82093871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).