(2,4-dibromophenyl)-(2-methylpyrazol-3-yl)methanamine

C11H11Br2N3 — CID 107945853

IUPAC(2,4-dibromophenyl)-(2-methylpyrazol-3-yl)methanamine
SMILESCn1nccc1C(N)c1ccc(Br)cc1Br
InChIInChI=1S/C11H11Br2N3/c1-16-10(4-5-15-16)11(14)8-3-2-7(12)6-9(8)13/h2-6,11H,14H2,1H3
InChIKeyYBTBUIBRLJBNOG-UHFFFAOYSA-N
MW345.04 g/mol
LogP2.99
Rot. Bonds2

About (2,4-dibromophenyl)-(2-methylpyrazol-3-yl)methanamine

(2,4-dibromophenyl)-(2-methylpyrazol-3-yl)methanamine (PubChem CID 107945853) has the molecular formula C11H11Br2N3 and a molecular weight of 345.04 g/mol. Its IUPAC name is (2,4-dibromophenyl)-(2-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(2,4-dibromophenyl)-(2-methylpyrazol-3-yl)methanamine
PubChem CID107945853
Molecular FormulaC11H11Br2N3
Molecular Weight345.04 g/mol
Exact Mass342.93
IUPAC Name(2,4-dibromophenyl)-(2-methylpyrazol-3-yl)methanamine
SMILESCn1nccc1C(N)c1ccc(Br)cc1Br
InChIInChI=1S/C11H11Br2N3/c1-16-10(4-5-15-16)11(14)8-3-2-7(12)6-9(8)13/h2-6,11H,14H2,1H3
InChIKeyYBTBUIBRLJBNOG-UHFFFAOYSA-N
XLogP2.99
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.04
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-5-methoxyphenyl)-(2-methylpyrazol-3-yl)methanamine
CID 105148609
(4-chloro-1-methylpyrazol-5-yl)-(2,4-dibromophenyl)methanamine
CID 107946860
(2,6-dimethyl-3-pyridinyl)-(2-methylpyrazol-3-yl)methanamine
CID 105148616
1-(2,5-dibromophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 115858881
(2,5-dibromophenyl)-(2-phenylpyrazol-3-yl)methanamine
CID 107332044
(2-methylpyrazol-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758165
[1-(2,4-dibromophenyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
CID 107948596
(5-chloro-2-methylphenyl)-(2-methylpyrazol-3-yl)methanamine
CID 115858606
1-[4-bromo-2-(trifluoromethyl)phenyl]-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 63962023
(2-methylpyrazol-3-yl)-(2-methyl-3-pyridinyl)methanamine
CID 105148585
(5-bromo-3-methyltriazol-4-yl)-(2-methylpyrazol-3-yl)methanamine
CID 106464783
2,5-dibromo-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106757432

Frequently Asked Questions

What is the IUPAC name of (2,4-dibromophenyl)-(2-methylpyrazol-3-yl)methanamine?
The IUPAC name of (2,4-dibromophenyl)-(2-methylpyrazol-3-yl)methanamine (CID 107945853) is (2,4-dibromophenyl)-(2-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for (2,4-dibromophenyl)-(2-methylpyrazol-3-yl)methanamine?
The canonical SMILES for (2,4-dibromophenyl)-(2-methylpyrazol-3-yl)methanamine is Cn1nccc1C(N)c1ccc(Br)cc1Br.
What is the InChIKey of (2,4-dibromophenyl)-(2-methylpyrazol-3-yl)methanamine?
The InChIKey is YBTBUIBRLJBNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2N3/c1-16-10(4-5-15-16)11(14)8-3-2-7(12)6-9(8)13/h2-6,11H,14H2,1H3.
What are the key properties of (2,4-dibromophenyl)-(2-methylpyrazol-3-yl)methanamine?
(2,4-dibromophenyl)-(2-methylpyrazol-3-yl)methanamine has a molecular weight of 345.04 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibromophenyl)-(2-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 107945853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).