[1-(4-bromo-2-methylphenyl)-5-methylpyrazol-4-yl]methanamine

C12H14BrN3 — CID 82307236

IUPAC[1-(4-bromo-2-methylphenyl)-5-methylpyrazol-4-yl]methanamine
SMILESCc1cc(Br)ccc1-n1ncc(CN)c1C
InChIInChI=1S/C12H14BrN3/c1-8-5-11(13)3-4-12(8)16-9(2)10(6-14)7-15-16/h3-5,7H,6,14H2,1-2H3
InChIKeyCSXNIVCTJJDSHS-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.71
Rot. Bonds2

About [1-(4-bromo-2-methylphenyl)-5-methylpyrazol-4-yl]methanamine

[1-(4-bromo-2-methylphenyl)-5-methylpyrazol-4-yl]methanamine (PubChem CID 82307236) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is [1-(4-bromo-2-methylphenyl)-5-methylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(4-bromo-2-methylphenyl)-5-methylpyrazol-4-yl]methanamine
PubChem CID82307236
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name[1-(4-bromo-2-methylphenyl)-5-methylpyrazol-4-yl]methanamine
SMILESCc1cc(Br)ccc1-n1ncc(CN)c1C
InChIInChI=1S/C12H14BrN3/c1-8-5-11(13)3-4-12(8)16-9(2)10(6-14)7-15-16/h3-5,7H,6,14H2,1-2H3
InChIKeyCSXNIVCTJJDSHS-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

Analyze [1-(4-bromo-2-methylphenyl)-5-methylpyrazol-4-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-2-methylphenyl)-5-methylpyrazol-4-yl]methanamine?
The IUPAC name of [1-(4-bromo-2-methylphenyl)-5-methylpyrazol-4-yl]methanamine (CID 82307236) is [1-(4-bromo-2-methylphenyl)-5-methylpyrazol-4-yl]methanamine.
What is the SMILES notation for [1-(4-bromo-2-methylphenyl)-5-methylpyrazol-4-yl]methanamine?
The canonical SMILES for [1-(4-bromo-2-methylphenyl)-5-methylpyrazol-4-yl]methanamine is Cc1cc(Br)ccc1-n1ncc(CN)c1C.
What is the InChIKey of [1-(4-bromo-2-methylphenyl)-5-methylpyrazol-4-yl]methanamine?
The InChIKey is CSXNIVCTJJDSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-8-5-11(13)3-4-12(8)16-9(2)10(6-14)7-15-16/h3-5,7H,6,14H2,1-2H3.
What are the key properties of [1-(4-bromo-2-methylphenyl)-5-methylpyrazol-4-yl]methanamine?
[1-(4-bromo-2-methylphenyl)-5-methylpyrazol-4-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-2-methylphenyl)-5-methylpyrazol-4-yl]methanamine is sourced from PubChem (CID 82307236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).