2-(4-bromophenyl)-4,5-dimethylpyrazol-3-amine

C11H12BrN3 — CID 54594361

IUPAC2-(4-bromophenyl)-4,5-dimethylpyrazol-3-amine
SMILESCc1nn(-c2ccc(Br)cc2)c(N)c1C
InChIInChI=1S/C11H12BrN3/c1-7-8(2)14-15(11(7)13)10-5-3-9(12)4-6-10/h3-6H,13H2,1-2H3
InChIKeyJVEKVZDVCDFIOU-UHFFFAOYSA-N
MW266.14 g/mol
LogP2.83
Rot. Bonds1

About 2-(4-bromophenyl)-4,5-dimethylpyrazol-3-amine

2-(4-bromophenyl)-4,5-dimethylpyrazol-3-amine (PubChem CID 54594361) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4,5-dimethylpyrazol-3-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-4,5-dimethylpyrazol-3-amine
PubChem CID54594361
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC Name2-(4-bromophenyl)-4,5-dimethylpyrazol-3-amine
SMILESCc1nn(-c2ccc(Br)cc2)c(N)c1C
InChIInChI=1S/C11H12BrN3/c1-7-8(2)14-15(11(7)13)10-5-3-9(12)4-6-10/h3-6H,13H2,1-2H3
InChIKeyJVEKVZDVCDFIOU-UHFFFAOYSA-N
XLogP2.83
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Amino-3-methyl-1-phenylpyrazole
CID 70801
3-Methyl-1-(2-methylphenyl)-1H-pyrazol-5-amine
CID 775688
3-Methyl-1,4-diphenyl-1H-pyrazol-5-amine
CID 619285
2-Phenyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-amine
CID 7130757
5-Amino-4-cyano-1-phenyl-1H-pyrazole-3-acetonitrile
CID 81585
1,3-Diphenyl-1H-pyrazol-5-amine
CID 199969
3-methyl-1-(3-methylphenyl)-1H-pyrazol-5-amine
CID 936840
1H-Pyrazol-5-amine, 3-methyl-1-(4-methylphenyl)-
CID 112855
5-amino-3-methyl-1-phenyl-1H-pyrazole-4-carbonitrile
CID 219858
3-tert-butyl-1-phenyl-1H-pyrazol-5-amine
CID 770634
1-(3,5-dimethylphenyl)-3-methyl-1H-pyrazol-5-amine
CID 2415595
1-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-amine
CID 2380354

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4,5-dimethylpyrazol-3-amine?
The IUPAC name of 2-(4-bromophenyl)-4,5-dimethylpyrazol-3-amine (CID 54594361) is 2-(4-bromophenyl)-4,5-dimethylpyrazol-3-amine.
What is the SMILES notation for 2-(4-bromophenyl)-4,5-dimethylpyrazol-3-amine?
The canonical SMILES for 2-(4-bromophenyl)-4,5-dimethylpyrazol-3-amine is Cc1nn(-c2ccc(Br)cc2)c(N)c1C.
What is the InChIKey of 2-(4-bromophenyl)-4,5-dimethylpyrazol-3-amine?
The InChIKey is JVEKVZDVCDFIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c1-7-8(2)14-15(11(7)13)10-5-3-9(12)4-6-10/h3-6H,13H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-4,5-dimethylpyrazol-3-amine?
2-(4-bromophenyl)-4,5-dimethylpyrazol-3-amine has a molecular weight of 266.14 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4,5-dimethylpyrazol-3-amine is sourced from PubChem (CID 54594361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).