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

C12H13Br2N3 — CID 105054403

IUPAC(5-bromo-2-methylphenyl)-(4-bromo-1-methylpyrazol-5-yl)methanamine
SMILESCc1ccc(Br)cc1C(N)c1c(Br)cnn1C
InChIInChI=1S/C12H13Br2N3/c1-7-3-4-8(13)5-9(7)11(15)12-10(14)6-16-17(12)2/h3-6,11H,15H2,1-2H3
InChIKeySKJGNZGFMQKPFZ-UHFFFAOYSA-N
MW359.07 g/mol
LogP3.30
Rot. Bonds2

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

(5-bromo-2-methylphenyl)-(4-bromo-1-methylpyrazol-5-yl)methanamine (PubChem CID 105054403) has the molecular formula C12H13Br2N3 and a molecular weight of 359.07 g/mol. Its IUPAC name is (5-bromo-2-methylphenyl)-(4-bromo-1-methylpyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-methylphenyl)-(4-bromo-1-methylpyrazol-5-yl)methanamine
PubChem CID105054403
Molecular FormulaC12H13Br2N3
Molecular Weight359.07 g/mol
Exact Mass356.95
IUPAC Name(5-bromo-2-methylphenyl)-(4-bromo-1-methylpyrazol-5-yl)methanamine
SMILESCc1ccc(Br)cc1C(N)c1c(Br)cnn1C
InChIInChI=1S/C12H13Br2N3/c1-7-3-4-8(13)5-9(7)11(15)12-10(14)6-16-17(12)2/h3-6,11H,15H2,1-2H3
InChIKeySKJGNZGFMQKPFZ-UHFFFAOYSA-N
XLogP3.30
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.07
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-2-methylphenyl)-(4-bromo-1-methylpyrazol-5-yl)methyl]ethanamine
CID 105054003
(4-bromo-1-methylpyrazol-5-yl)-(2,3-dimethylphenyl)methanamine
CID 105054313
(4-chloro-1-methylpyrazol-5-yl)-(2,4-dibromophenyl)methanamine
CID 107946860
(4-bromo-1-methylpyrazol-5-yl)-(2-methylsulfanylphenyl)methanamine
CID 105054374
(4-bromo-1-methylpyrazol-5-yl)-(5-chloro-2-iodophenyl)methanamine
CID 114030271
(4-bromo-1-methylpyrazol-5-yl)-(4-bromothiophen-2-yl)methanamine
CID 114652742
(5-bromo-2-methylphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 115835016
(5-bromo-2-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine
CID 114894580
(5-bromo-2-methylphenyl)-(1-methylimidazol-2-yl)methanamine
CID 65312123
(4-bromo-1-methylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanamine
CID 105066155
1-(5-bromo-2-methylphenyl)-1-(4-bromo-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105041545
(5-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857762

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylphenyl)-(4-bromo-1-methylpyrazol-5-yl)methanamine?
The IUPAC name of (5-bromo-2-methylphenyl)-(4-bromo-1-methylpyrazol-5-yl)methanamine (CID 105054403) is (5-bromo-2-methylphenyl)-(4-bromo-1-methylpyrazol-5-yl)methanamine.
What is the SMILES notation for (5-bromo-2-methylphenyl)-(4-bromo-1-methylpyrazol-5-yl)methanamine?
The canonical SMILES for (5-bromo-2-methylphenyl)-(4-bromo-1-methylpyrazol-5-yl)methanamine is Cc1ccc(Br)cc1C(N)c1c(Br)cnn1C.
What is the InChIKey of (5-bromo-2-methylphenyl)-(4-bromo-1-methylpyrazol-5-yl)methanamine?
The InChIKey is SKJGNZGFMQKPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2N3/c1-7-3-4-8(13)5-9(7)11(15)12-10(14)6-16-17(12)2/h3-6,11H,15H2,1-2H3.
What are the key properties of (5-bromo-2-methylphenyl)-(4-bromo-1-methylpyrazol-5-yl)methanamine?
(5-bromo-2-methylphenyl)-(4-bromo-1-methylpyrazol-5-yl)methanamine has a molecular weight of 359.07 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methylphenyl)-(4-bromo-1-methylpyrazol-5-yl)methanamine is sourced from PubChem (CID 105054403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).