1-(4-bromo-3,5-dimethylphenyl)-4-methylpyrazol-3-amine

C12H14BrN3 — CID 107581343

IUPAC1-(4-bromo-3,5-dimethylphenyl)-4-methylpyrazol-3-amine
SMILESCc1cn(-c2cc(C)c(Br)c(C)c2)nc1N
InChIInChI=1S/C12H14BrN3/c1-7-4-10(5-8(2)11(7)13)16-6-9(3)12(14)15-16/h4-6H,1-3H3,(H2,14,15)
InChIKeyKDDFUSNZTSGQEZ-UHFFFAOYSA-N
MW280.17 g/mol
LogP3.14
Rot. Bonds1

About 1-(4-bromo-3,5-dimethylphenyl)-4-methylpyrazol-3-amine

1-(4-bromo-3,5-dimethylphenyl)-4-methylpyrazol-3-amine (PubChem CID 107581343) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 1-(4-bromo-3,5-dimethylphenyl)-4-methylpyrazol-3-amine.

Molecular Properties

Compound Name1-(4-bromo-3,5-dimethylphenyl)-4-methylpyrazol-3-amine
PubChem CID107581343
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name1-(4-bromo-3,5-dimethylphenyl)-4-methylpyrazol-3-amine
SMILESCc1cn(-c2cc(C)c(Br)c(C)c2)nc1N
InChIInChI=1S/C12H14BrN3/c1-7-4-10(5-8(2)11(7)13)16-6-9(3)12(14)15-16/h4-6H,1-3H3,(H2,14,15)
InChIKeyKDDFUSNZTSGQEZ-UHFFFAOYSA-N
XLogP3.14
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromo-3,5-dimethylphenyl)-4-methylpyrazol-3-amine 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

4-methyl-1-(3,4,5-trifluorophenyl)pyrazol-3-amine
CID 79194411
4-methyl-1-phenylpyrazol-3-amine
CID 12847947
4-methyl-1-(5-methyl-3-pyridinyl)pyrazol-3-amine
CID 115375127
1-(3-fluorophenyl)-4-methylpyrazol-3-amine
CID 62677931
1-(4-fluorophenyl)-4-methylpyrazol-3-amine;hydrochloride
CID 170911525
1-(2-bromophenyl)-4-methylpyrazol-3-amine
CID 62677549
1-(3-bromo-5-chloro-2-pyridinyl)-4-methylpyrazol-3-amine
CID 114836524
1-(3-fluoro-4-nitrophenyl)-4-methylpyrazol-3-amine
CID 102943044
1-[1-(4-bromo-3,5-dimethylphenyl)triazol-4-yl]ethanamine
CID 107577951
4-(3-amino-4-methylpyrazol-1-yl)-3-bromobenzamide
CID 82801569
1-(2-chloro-5-methylphenyl)-4-methylpyrazol-3-amine
CID 107627899
1-(2-fluoro-5-methylphenyl)-4-methylpyrazol-3-amine
CID 102942463

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-4-methylpyrazol-3-amine?
The IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-4-methylpyrazol-3-amine (CID 107581343) is 1-(4-bromo-3,5-dimethylphenyl)-4-methylpyrazol-3-amine.
What is the SMILES notation for 1-(4-bromo-3,5-dimethylphenyl)-4-methylpyrazol-3-amine?
The canonical SMILES for 1-(4-bromo-3,5-dimethylphenyl)-4-methylpyrazol-3-amine is Cc1cn(-c2cc(C)c(Br)c(C)c2)nc1N.
What is the InChIKey of 1-(4-bromo-3,5-dimethylphenyl)-4-methylpyrazol-3-amine?
The InChIKey is KDDFUSNZTSGQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-7-4-10(5-8(2)11(7)13)16-6-9(3)12(14)15-16/h4-6H,1-3H3,(H2,14,15).
What are the key properties of 1-(4-bromo-3,5-dimethylphenyl)-4-methylpyrazol-3-amine?
1-(4-bromo-3,5-dimethylphenyl)-4-methylpyrazol-3-amine has a molecular weight of 280.17 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3,5-dimethylphenyl)-4-methylpyrazol-3-amine is sourced from PubChem (CID 107581343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).