(3,5-dibromophenyl)-(1-methylpyrazol-3-yl)methanamine

C11H11Br2N3 — CID 107977932

IUPAC(3,5-dibromophenyl)-(1-methylpyrazol-3-yl)methanamine
SMILESCn1ccc(C(N)c2cc(Br)cc(Br)c2)n1
InChIInChI=1S/C11H11Br2N3/c1-16-3-2-10(15-16)11(14)7-4-8(12)6-9(13)5-7/h2-6,11H,14H2,1H3
InChIKeyVVLHDICUQLBYHI-UHFFFAOYSA-N
MW345.04 g/mol
LogP2.99
Rot. Bonds2

About (3,5-dibromophenyl)-(1-methylpyrazol-3-yl)methanamine

(3,5-dibromophenyl)-(1-methylpyrazol-3-yl)methanamine (PubChem CID 107977932) has the molecular formula C11H11Br2N3 and a molecular weight of 345.04 g/mol. Its IUPAC name is (3,5-dibromophenyl)-(1-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(3,5-dibromophenyl)-(1-methylpyrazol-3-yl)methanamine
PubChem CID107977932
Molecular FormulaC11H11Br2N3
Molecular Weight345.04 g/mol
Exact Mass342.93
IUPAC Name(3,5-dibromophenyl)-(1-methylpyrazol-3-yl)methanamine
SMILESCn1ccc(C(N)c2cc(Br)cc(Br)c2)n1
InChIInChI=1S/C11H11Br2N3/c1-16-3-2-10(15-16)11(14)7-4-8(12)6-9(13)5-7/h2-6,11H,14H2,1H3
InChIKeyVVLHDICUQLBYHI-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

(5-bromothiophen-3-yl)-(1-methylpyrazol-3-yl)methanamine
CID 103135151
(1-methylpyrazol-3-yl)-phenylmethanamine
CID 65200403
(3-bromo-4-fluorophenyl)-(1-methylpyrazol-3-yl)methanamine
CID 103131308
(1-methylpyrazol-3-yl)-(1-methylpyrazol-4-yl)methanamine
CID 65200249
(5-methylfuran-3-yl)-(1-methylpyrazol-3-yl)methanamine
CID 103134923
(2-bromo-5-methylphenyl)-(1-methylpyrazol-3-yl)methanamine
CID 103135283
(2-bromo-4-chlorophenyl)-(1-methylpyrazol-3-yl)methanamine
CID 107995871
(1-methylpyrazol-3-yl)-(4-propylphenyl)methanamine
CID 65200725
1-(1-methylpyrazol-3-yl)ethanamine;hydrochloride
CID 130453998
(3-bromo-2-chlorophenyl)-(1-methylpyrazol-3-yl)methanamine
CID 103135482
(1-methylimidazol-4-yl)-(1-methylpyrazol-3-yl)methanamine
CID 107977933
(1-methylpyrazol-3-yl)-(3-methyl-1,2-thiazol-5-yl)methanamine
CID 130674397

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromophenyl)-(1-methylpyrazol-3-yl)methanamine?
The IUPAC name of (3,5-dibromophenyl)-(1-methylpyrazol-3-yl)methanamine (CID 107977932) is (3,5-dibromophenyl)-(1-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for (3,5-dibromophenyl)-(1-methylpyrazol-3-yl)methanamine?
The canonical SMILES for (3,5-dibromophenyl)-(1-methylpyrazol-3-yl)methanamine is Cn1ccc(C(N)c2cc(Br)cc(Br)c2)n1.
What is the InChIKey of (3,5-dibromophenyl)-(1-methylpyrazol-3-yl)methanamine?
The InChIKey is VVLHDICUQLBYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2N3/c1-16-3-2-10(15-16)11(14)7-4-8(12)6-9(13)5-7/h2-6,11H,14H2,1H3.
What are the key properties of (3,5-dibromophenyl)-(1-methylpyrazol-3-yl)methanamine?
(3,5-dibromophenyl)-(1-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 (3,5-dibromophenyl)-(1-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 107977932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).