(4-bromo-1-methylpyrazol-5-yl)-(2,3-dimethylphenyl)methanamine

C13H16BrN3 — CID 105054313

IUPAC(4-bromo-1-methylpyrazol-5-yl)-(2,3-dimethylphenyl)methanamine
SMILESCc1cccc(C(N)c2c(Br)cnn2C)c1C
InChIInChI=1S/C13H16BrN3/c1-8-5-4-6-10(9(8)2)12(15)13-11(14)7-16-17(13)3/h4-7,12H,15H2,1-3H3
InChIKeyXQSQGCGTQVIDGH-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.85
Rot. Bonds2

About (4-bromo-1-methylpyrazol-5-yl)-(2,3-dimethylphenyl)methanamine

(4-bromo-1-methylpyrazol-5-yl)-(2,3-dimethylphenyl)methanamine (PubChem CID 105054313) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-5-yl)-(2,3-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-5-yl)-(2,3-dimethylphenyl)methanamine
PubChem CID105054313
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name(4-bromo-1-methylpyrazol-5-yl)-(2,3-dimethylphenyl)methanamine
SMILESCc1cccc(C(N)c2c(Br)cnn2C)c1C
InChIInChI=1S/C13H16BrN3/c1-8-5-4-6-10(9(8)2)12(15)13-11(14)7-16-17(13)3/h4-7,12H,15H2,1-3H3
InChIKeyXQSQGCGTQVIDGH-UHFFFAOYSA-N
XLogP2.85
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dimethylphenyl)methanamine
CID 105043065
(5-bromo-2-methylphenyl)-(4-bromo-1-methylpyrazol-5-yl)methanamine
CID 105054403
(4-bromo-1-methylpyrazol-5-yl)-(2-methylsulfanylphenyl)methanamine
CID 105054374
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methylphenyl)methanamine
CID 114646764
(4-bromo-1-methylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanamine
CID 105066155
(4-bromo-1-methylpyrazol-5-yl)-(5-chloro-2-iodophenyl)methanamine
CID 114030271
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dimethylphenyl)methyl]hydrazine
CID 105337265
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-chloro-2-methylphenyl)methanamine
CID 107103101
(2,3-dimethylimidazol-4-yl)-(2,3-dimethylphenyl)methanamine
CID 114283525
(2,3-dimethylphenyl)-(2-methylphenyl)methanamine
CID 55085139
(2-bromo-3-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 107985415
1-benzothiophen-2-yl-(4-bromo-1-methylpyrazol-5-yl)methanamine
CID 105054135

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(2,3-dimethylphenyl)methanamine?
The IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(2,3-dimethylphenyl)methanamine (CID 105054313) is (4-bromo-1-methylpyrazol-5-yl)-(2,3-dimethylphenyl)methanamine.
What is the SMILES notation for (4-bromo-1-methylpyrazol-5-yl)-(2,3-dimethylphenyl)methanamine?
The canonical SMILES for (4-bromo-1-methylpyrazol-5-yl)-(2,3-dimethylphenyl)methanamine is Cc1cccc(C(N)c2c(Br)cnn2C)c1C.
What is the InChIKey of (4-bromo-1-methylpyrazol-5-yl)-(2,3-dimethylphenyl)methanamine?
The InChIKey is XQSQGCGTQVIDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-8-5-4-6-10(9(8)2)12(15)13-11(14)7-16-17(13)3/h4-7,12H,15H2,1-3H3.
What are the key properties of (4-bromo-1-methylpyrazol-5-yl)-(2,3-dimethylphenyl)methanamine?
(4-bromo-1-methylpyrazol-5-yl)-(2,3-dimethylphenyl)methanamine has a molecular weight of 294.20 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrazol-5-yl)-(2,3-dimethylphenyl)methanamine is sourced from PubChem (CID 105054313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).