(2,5-dibromophenyl)-(2-phenylpyrazol-3-yl)methanamine

C16H13Br2N3 — CID 107332044

IUPAC(2,5-dibromophenyl)-(2-phenylpyrazol-3-yl)methanamine
SMILESNC(c1cc(Br)ccc1Br)c1ccnn1-c1ccccc1
InChIInChI=1S/C16H13Br2N3/c17-11-6-7-14(18)13(10-11)16(19)15-8-9-20-21(15)12-4-2-1-3-5-12/h1-10,16H,19H2
InChIKeyFFMNKJIXWIFOSS-UHFFFAOYSA-N
MW407.11 g/mol
LogP4.45
Rot. Bonds3

About (2,5-dibromophenyl)-(2-phenylpyrazol-3-yl)methanamine

(2,5-dibromophenyl)-(2-phenylpyrazol-3-yl)methanamine (PubChem CID 107332044) has the molecular formula C16H13Br2N3 and a molecular weight of 407.11 g/mol. Its IUPAC name is (2,5-dibromophenyl)-(2-phenylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(2,5-dibromophenyl)-(2-phenylpyrazol-3-yl)methanamine
PubChem CID107332044
Molecular FormulaC16H13Br2N3
Molecular Weight407.11 g/mol
Exact Mass404.95
IUPAC Name(2,5-dibromophenyl)-(2-phenylpyrazol-3-yl)methanamine
SMILESNC(c1cc(Br)ccc1Br)c1ccnn1-c1ccccc1
InChIInChI=1S/C16H13Br2N3/c17-11-6-7-14(18)13(10-11)16(19)15-8-9-20-21(15)12-4-2-1-3-5-12/h1-10,16H,19H2
InChIKeyFFMNKJIXWIFOSS-UHFFFAOYSA-N
XLogP4.45
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.11
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylphenyl)-(2-phenylpyrazol-3-yl)methanamine
CID 107330490
(3,5-difluorophenyl)-(2-phenylpyrazol-3-yl)methanamine
CID 107330561
(2-methylfuran-3-yl)-(2-phenylpyrazol-3-yl)methanamine
CID 107330866
(4-chloro-2-fluorophenyl)-(2-phenylpyrazol-3-yl)methanamine
CID 107330605
(2,4-dibromophenyl)-(2-methylpyrazol-3-yl)methanamine
CID 107945853
(5-methylfuran-2-yl)-(2-phenylpyrazol-3-yl)methanamine
CID 107332054
(3-methylphenyl)-(2-phenylpyrazol-3-yl)methanamine
CID 107330491
(5-bromo-2-fluorophenyl)-(3-phenyltriazol-4-yl)methanamine
CID 114894453
(2-bromo-5-methoxyphenyl)-(2-methylpyrazol-3-yl)methanamine
CID 105148609
1-(2,5-dibromophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 115858881
(5-methylthiophen-2-yl)-(2-phenylpyrazol-3-yl)methanamine
CID 107332136
(5-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857762

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromophenyl)-(2-phenylpyrazol-3-yl)methanamine?
The IUPAC name of (2,5-dibromophenyl)-(2-phenylpyrazol-3-yl)methanamine (CID 107332044) is (2,5-dibromophenyl)-(2-phenylpyrazol-3-yl)methanamine.
What is the SMILES notation for (2,5-dibromophenyl)-(2-phenylpyrazol-3-yl)methanamine?
The canonical SMILES for (2,5-dibromophenyl)-(2-phenylpyrazol-3-yl)methanamine is NC(c1cc(Br)ccc1Br)c1ccnn1-c1ccccc1.
What is the InChIKey of (2,5-dibromophenyl)-(2-phenylpyrazol-3-yl)methanamine?
The InChIKey is FFMNKJIXWIFOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Br2N3/c17-11-6-7-14(18)13(10-11)16(19)15-8-9-20-21(15)12-4-2-1-3-5-12/h1-10,16H,19H2.
What are the key properties of (2,5-dibromophenyl)-(2-phenylpyrazol-3-yl)methanamine?
(2,5-dibromophenyl)-(2-phenylpyrazol-3-yl)methanamine has a molecular weight of 407.11 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromophenyl)-(2-phenylpyrazol-3-yl)methanamine is sourced from PubChem (CID 107332044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).