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

C12H14BrN3 — CID 115809289

IUPAC(2-bromo-5-methylphenyl)-(1-methylpyrazol-4-yl)methanamine
SMILESCc1ccc(Br)c(C(N)c2cnn(C)c2)c1
InChIInChI=1S/C12H14BrN3/c1-8-3-4-11(13)10(5-8)12(14)9-6-15-16(2)7-9/h3-7,12H,14H2,1-2H3
InChIKeyUFVYWYFNWAXDKZ-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.54
Rot. Bonds2

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

(2-bromo-5-methylphenyl)-(1-methylpyrazol-4-yl)methanamine (PubChem CID 115809289) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is (2-bromo-5-methylphenyl)-(1-methylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(2-bromo-5-methylphenyl)-(1-methylpyrazol-4-yl)methanamine
PubChem CID115809289
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name(2-bromo-5-methylphenyl)-(1-methylpyrazol-4-yl)methanamine
SMILESCc1ccc(Br)c(C(N)c2cnn(C)c2)c1
InChIInChI=1S/C12H14BrN3/c1-8-3-4-11(13)10(5-8)12(14)9-6-15-16(2)7-9/h3-7,12H,14H2,1-2H3
InChIKeyUFVYWYFNWAXDKZ-UHFFFAOYSA-N
XLogP2.54
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-bromophenyl)-(1-methylpyrazol-4-yl)methanamine
CID 43124230
(2-bromo-5-methylphenyl)-(1-methylpyrazol-3-yl)methanamine
CID 103135283
(2-bromo-5-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 105046840
(1-methylpyrazol-4-yl)-(4-methyl-2-pyridinyl)methanamine
CID 63839914
[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine
CID 107915209
(2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanamine
CID 81110803
(2-bromo-5-methylphenyl)-(5-methylthiophen-3-yl)methanamine
CID 104991668
(2-bromo-5-methylphenyl)-(2,5-dibromophenyl)methanamine
CID 81110281
(2-bromo-5-methylphenyl)-(3,5-dimethoxyphenyl)methanamine
CID 105013705
(2-bromo-5-methylphenyl)-(4-ethylphenyl)methanamine
CID 81109837
2-[5-[amino-(2-bromo-5-methylphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 105041131
(2-bromo-5-fluorophenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 115816294

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methylphenyl)-(1-methylpyrazol-4-yl)methanamine?
The IUPAC name of (2-bromo-5-methylphenyl)-(1-methylpyrazol-4-yl)methanamine (CID 115809289) is (2-bromo-5-methylphenyl)-(1-methylpyrazol-4-yl)methanamine.
What is the SMILES notation for (2-bromo-5-methylphenyl)-(1-methylpyrazol-4-yl)methanamine?
The canonical SMILES for (2-bromo-5-methylphenyl)-(1-methylpyrazol-4-yl)methanamine is Cc1ccc(Br)c(C(N)c2cnn(C)c2)c1.
What is the InChIKey of (2-bromo-5-methylphenyl)-(1-methylpyrazol-4-yl)methanamine?
The InChIKey is UFVYWYFNWAXDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-8-3-4-11(13)10(5-8)12(14)9-6-15-16(2)7-9/h3-7,12H,14H2,1-2H3.
What are the key properties of (2-bromo-5-methylphenyl)-(1-methylpyrazol-4-yl)methanamine?
(2-bromo-5-methylphenyl)-(1-methylpyrazol-4-yl)methanamine has a molecular weight of 280.17 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methylphenyl)-(1-methylpyrazol-4-yl)methanamine is sourced from PubChem (CID 115809289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).