(2-bromo-5-methylphenyl)-(1-methylpyrazol-3-yl)methanamine

C12H14BrN3 — CID 103135283

IUPAC(2-bromo-5-methylphenyl)-(1-methylpyrazol-3-yl)methanamine
SMILESCc1ccc(Br)c(C(N)c2ccn(C)n2)c1
InChIInChI=1S/C12H14BrN3/c1-8-3-4-10(13)9(7-8)12(14)11-5-6-16(2)15-11/h3-7,12H,14H2,1-2H3
InChIKeyAHULVSKZEFXKIJ-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.54
Rot. Bonds2

About (2-bromo-5-methylphenyl)-(1-methylpyrazol-3-yl)methanamine

(2-bromo-5-methylphenyl)-(1-methylpyrazol-3-yl)methanamine (PubChem CID 103135283) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is (2-bromo-5-methylphenyl)-(1-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(2-bromo-5-methylphenyl)-(1-methylpyrazol-3-yl)methanamine
PubChem CID103135283
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name(2-bromo-5-methylphenyl)-(1-methylpyrazol-3-yl)methanamine
SMILESCc1ccc(Br)c(C(N)c2ccn(C)n2)c1
InChIInChI=1S/C12H14BrN3/c1-8-3-4-10(13)9(7-8)12(14)11-5-6-16(2)15-11/h3-7,12H,14H2,1-2H3
InChIKeyAHULVSKZEFXKIJ-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromo-5-methylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103135736
(2-bromo-4-chlorophenyl)-(1-methylpyrazol-3-yl)methanamine
CID 107995871
(2-bromo-5-methylphenyl)-(1-methylpyrazol-4-yl)methanamine
CID 115809289
(4-bromo-3-chloro-2-fluorophenyl)-(1-methylpyrazol-3-yl)methanamine
CID 106762598
(3-bromo-2-chlorophenyl)-(1-methylpyrazol-3-yl)methanamine
CID 103135482
(3,5-dibromophenyl)-(1-methylpyrazol-3-yl)methanamine
CID 107977932
(5-bromothiophen-3-yl)-(1-methylpyrazol-3-yl)methanamine
CID 103135151
(2-bromo-5-methylphenyl)-(2,5-dibromophenyl)methanamine
CID 81110281
(3-bromo-4-fluorophenyl)-(1-methylpyrazol-3-yl)methanamine
CID 103131308
(2-bromo-5-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 105046840
[(2,4-dimethylphenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 105228647
1-(2,5-dimethylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 65200164

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methylphenyl)-(1-methylpyrazol-3-yl)methanamine?
The IUPAC name of (2-bromo-5-methylphenyl)-(1-methylpyrazol-3-yl)methanamine (CID 103135283) is (2-bromo-5-methylphenyl)-(1-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for (2-bromo-5-methylphenyl)-(1-methylpyrazol-3-yl)methanamine?
The canonical SMILES for (2-bromo-5-methylphenyl)-(1-methylpyrazol-3-yl)methanamine is Cc1ccc(Br)c(C(N)c2ccn(C)n2)c1.
What is the InChIKey of (2-bromo-5-methylphenyl)-(1-methylpyrazol-3-yl)methanamine?
The InChIKey is AHULVSKZEFXKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-8-3-4-10(13)9(7-8)12(14)11-5-6-16(2)15-11/h3-7,12H,14H2,1-2H3.
What are the key properties of (2-bromo-5-methylphenyl)-(1-methylpyrazol-3-yl)methanamine?
(2-bromo-5-methylphenyl)-(1-methylpyrazol-3-yl)methanamine has a molecular weight of 280.17 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methylphenyl)-(1-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 103135283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).