3-(4-bromothiophen-2-yl)-1-[(4-methylphenyl)methyl]pyrazol-4-amine

C15H14BrN3S — CID 107354952

IUPAC3-(4-bromothiophen-2-yl)-1-[(4-methylphenyl)methyl]pyrazol-4-amine
SMILESCc1ccc(Cn2cc(N)c(-c3cc(Br)cs3)n2)cc1
InChIInChI=1S/C15H14BrN3S/c1-10-2-4-11(5-3-10)7-19-8-13(17)15(18-19)14-6-12(16)9-20-14/h2-6,8-9H,7,17H2,1H3
InChIKeyGYBRRNKIKMLBIY-UHFFFAOYSA-N
MW348.27 g/mol
LogP4.31
Rot. Bonds3

About 3-(4-bromothiophen-2-yl)-1-[(4-methylphenyl)methyl]pyrazol-4-amine

3-(4-bromothiophen-2-yl)-1-[(4-methylphenyl)methyl]pyrazol-4-amine (PubChem CID 107354952) has the molecular formula C15H14BrN3S and a molecular weight of 348.27 g/mol. Its IUPAC name is 3-(4-bromothiophen-2-yl)-1-[(4-methylphenyl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name3-(4-bromothiophen-2-yl)-1-[(4-methylphenyl)methyl]pyrazol-4-amine
PubChem CID107354952
Molecular FormulaC15H14BrN3S
Molecular Weight348.27 g/mol
Exact Mass347.01
IUPAC Name3-(4-bromothiophen-2-yl)-1-[(4-methylphenyl)methyl]pyrazol-4-amine
SMILESCc1ccc(Cn2cc(N)c(-c3cc(Br)cs3)n2)cc1
InChIInChI=1S/C15H14BrN3S/c1-10-2-4-11(5-3-10)7-19-8-13(17)15(18-19)14-6-12(16)9-20-14/h2-6,8-9H,7,17H2,1H3
InChIKeyGYBRRNKIKMLBIY-UHFFFAOYSA-N
XLogP4.31
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-bromothiophen-2-yl)-1-[(4-methylphenyl)methyl]pyrazol-4-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

3-(4-bromothiophen-2-yl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde
CID 107354825
1-[(4-bromophenyl)methyl]-3-(5-methylthiophen-2-yl)pyrazol-4-amine
CID 83223015
1-[(4-methylphenyl)methyl]-3-(3-methylthiophen-2-yl)pyrazol-4-amine
CID 83222404
3-(4-bromophenyl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine
CID 83205131
1-[(3-methylphenyl)methyl]-3-(5-methylthiophen-2-yl)pyrazol-4-amine
CID 83222416
1-[(4-methylphenyl)methyl]-3-propan-2-ylpyrazol-4-amine
CID 83222405
1-benzyl-3-(2,4-dimethylphenyl)pyrazol-4-amine
CID 83203407
3-(4-bromothiophen-2-yl)-1-(2,4-difluorophenyl)pyrazol-4-amine
CID 107354942
3-(3-bromophenyl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine
CID 83204745
3-(4-bromothiophen-2-yl)-1-pyridin-2-ylpyrazol-4-amine
CID 107354928
1-[(2-bromophenyl)methyl]-3-(5-methylthiophen-2-yl)pyrazol-4-amine
CID 83223316
1-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)pyrazol-4-amine
CID 83203351

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromothiophen-2-yl)-1-[(4-methylphenyl)methyl]pyrazol-4-amine?
The IUPAC name of 3-(4-bromothiophen-2-yl)-1-[(4-methylphenyl)methyl]pyrazol-4-amine (CID 107354952) is 3-(4-bromothiophen-2-yl)-1-[(4-methylphenyl)methyl]pyrazol-4-amine.
What is the SMILES notation for 3-(4-bromothiophen-2-yl)-1-[(4-methylphenyl)methyl]pyrazol-4-amine?
The canonical SMILES for 3-(4-bromothiophen-2-yl)-1-[(4-methylphenyl)methyl]pyrazol-4-amine is Cc1ccc(Cn2cc(N)c(-c3cc(Br)cs3)n2)cc1.
What is the InChIKey of 3-(4-bromothiophen-2-yl)-1-[(4-methylphenyl)methyl]pyrazol-4-amine?
The InChIKey is GYBRRNKIKMLBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3S/c1-10-2-4-11(5-3-10)7-19-8-13(17)15(18-19)14-6-12(16)9-20-14/h2-6,8-9H,7,17H2,1H3.
What are the key properties of 3-(4-bromothiophen-2-yl)-1-[(4-methylphenyl)methyl]pyrazol-4-amine?
3-(4-bromothiophen-2-yl)-1-[(4-methylphenyl)methyl]pyrazol-4-amine has a molecular weight of 348.27 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromothiophen-2-yl)-1-[(4-methylphenyl)methyl]pyrazol-4-amine is sourced from PubChem (CID 107354952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).