3-(3-bromo-4-methylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine

C16H15BrN4 — CID 81460629

IUPAC3-(3-bromo-4-methylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine
SMILESCc1ccc(-c2nn(C)c(N)c2-c2ccccn2)cc1Br
InChIInChI=1S/C16H15BrN4/c1-10-6-7-11(9-12(10)17)15-14(16(18)21(2)20-15)13-5-3-4-8-19-13/h3-9H,18H2,1-2H3
InChIKeySLZCFSJDPOXREU-UHFFFAOYSA-N
MW343.23 g/mol
LogP3.80
Rot. Bonds2

About 3-(3-bromo-4-methylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine

3-(3-bromo-4-methylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine (PubChem CID 81460629) has the molecular formula C16H15BrN4 and a molecular weight of 343.23 g/mol. Its IUPAC name is 3-(3-bromo-4-methylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name3-(3-bromo-4-methylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine
PubChem CID81460629
Molecular FormulaC16H15BrN4
Molecular Weight343.23 g/mol
Exact Mass342.05
IUPAC Name3-(3-bromo-4-methylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine
SMILESCc1ccc(-c2nn(C)c(N)c2-c2ccccn2)cc1Br
InChIInChI=1S/C16H15BrN4/c1-10-6-7-11(9-12(10)17)15-14(16(18)21(2)20-15)13-5-3-4-8-19-13/h3-9H,18H2,1-2H3
InChIKeySLZCFSJDPOXREU-UHFFFAOYSA-N
XLogP3.80
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-bromo-4-methylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-methylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine?
The IUPAC name of 3-(3-bromo-4-methylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine (CID 81460629) is 3-(3-bromo-4-methylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine.
What is the SMILES notation for 3-(3-bromo-4-methylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine?
The canonical SMILES for 3-(3-bromo-4-methylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine is Cc1ccc(-c2nn(C)c(N)c2-c2ccccn2)cc1Br.
What is the InChIKey of 3-(3-bromo-4-methylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine?
The InChIKey is SLZCFSJDPOXREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4/c1-10-6-7-11(9-12(10)17)15-14(16(18)21(2)20-15)13-5-3-4-8-19-13/h3-9H,18H2,1-2H3.
What are the key properties of 3-(3-bromo-4-methylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine?
3-(3-bromo-4-methylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine has a molecular weight of 343.23 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-methylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine is sourced from PubChem (CID 81460629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).