3-(4-bromophenyl)-1-(4-methyl-2-pyridinyl)pyrazol-4-amine

C15H13BrN4 — CID 83218367

IUPAC3-(4-bromophenyl)-1-(4-methyl-2-pyridinyl)pyrazol-4-amine
SMILESCc1ccnc(-n2cc(N)c(-c3ccc(Br)cc3)n2)c1
InChIInChI=1S/C15H13BrN4/c1-10-6-7-18-14(8-10)20-9-13(17)15(19-20)11-2-4-12(16)5-3-11/h2-9H,17H2,1H3
InChIKeyQTBBSWYWQXOAOL-UHFFFAOYSA-N
MW329.20 g/mol
LogP3.59
Rot. Bonds2

About 3-(4-bromophenyl)-1-(4-methyl-2-pyridinyl)pyrazol-4-amine

3-(4-bromophenyl)-1-(4-methyl-2-pyridinyl)pyrazol-4-amine (PubChem CID 83218367) has the molecular formula C15H13BrN4 and a molecular weight of 329.20 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-(4-methyl-2-pyridinyl)pyrazol-4-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-(4-methyl-2-pyridinyl)pyrazol-4-amine
PubChem CID83218367
Molecular FormulaC15H13BrN4
Molecular Weight329.20 g/mol
Exact Mass328.03
IUPAC Name3-(4-bromophenyl)-1-(4-methyl-2-pyridinyl)pyrazol-4-amine
SMILESCc1ccnc(-n2cc(N)c(-c3ccc(Br)cc3)n2)c1
InChIInChI=1S/C15H13BrN4/c1-10-6-7-18-14(8-10)20-9-13(17)15(19-20)11-2-4-12(16)5-3-11/h2-9H,17H2,1H3
InChIKeyQTBBSWYWQXOAOL-UHFFFAOYSA-N
XLogP3.59
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-bromophenyl)-1-(4-methyl-2-pyridinyl)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

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-(4-methyl-2-pyridinyl)pyrazol-4-amine?
The IUPAC name of 3-(4-bromophenyl)-1-(4-methyl-2-pyridinyl)pyrazol-4-amine (CID 83218367) is 3-(4-bromophenyl)-1-(4-methyl-2-pyridinyl)pyrazol-4-amine.
What is the SMILES notation for 3-(4-bromophenyl)-1-(4-methyl-2-pyridinyl)pyrazol-4-amine?
The canonical SMILES for 3-(4-bromophenyl)-1-(4-methyl-2-pyridinyl)pyrazol-4-amine is Cc1ccnc(-n2cc(N)c(-c3ccc(Br)cc3)n2)c1.
What is the InChIKey of 3-(4-bromophenyl)-1-(4-methyl-2-pyridinyl)pyrazol-4-amine?
The InChIKey is QTBBSWYWQXOAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4/c1-10-6-7-18-14(8-10)20-9-13(17)15(19-20)11-2-4-12(16)5-3-11/h2-9H,17H2,1H3.
What are the key properties of 3-(4-bromophenyl)-1-(4-methyl-2-pyridinyl)pyrazol-4-amine?
3-(4-bromophenyl)-1-(4-methyl-2-pyridinyl)pyrazol-4-amine has a molecular weight of 329.20 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-(4-methyl-2-pyridinyl)pyrazol-4-amine is sourced from PubChem (CID 83218367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).