2-(5-bromo-2-pyridinyl)pyrazol-3-amine;[2-(5-bromo-2-pyridinyl)pyrazol-3-yl]carbamic acid

C17H14Br2N8O2 — CID 156501407

IUPAC2-(5-bromo-2-pyridinyl)pyrazol-3-amine;[2-(5-bromo-2-pyridinyl)pyrazol-3-yl]carbamic acid
SMILESNc1ccnn1-c1ccc(Br)cn1.O=C(O)Nc1ccnn1-c1ccc(Br)cn1
InChIInChI=1S/C9H7BrN4O2.C8H7BrN4/c10-6-1-2-7(11-5-6)14-8(3-4-12-14)13-9(15)16;9-6-1-2-8(11-5-6)13-7(10)3-4-12-13/h1-5,13H,(H,15,16);1-5H,10H2
InChIKeyHXBUDZZOBLVDGQ-UHFFFAOYSA-N
MW522.16 g/mol
LogP3.73
Rot. Bonds3

About 2-(5-bromo-2-pyridinyl)pyrazol-3-amine;[2-(5-bromo-2-pyridinyl)pyrazol-3-yl]carbamic acid

2-(5-bromo-2-pyridinyl)pyrazol-3-amine;[2-(5-bromo-2-pyridinyl)pyrazol-3-yl]carbamic acid (PubChem CID 156501407) has the molecular formula C17H14Br2N8O2 and a molecular weight of 522.16 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)pyrazol-3-amine;[2-(5-bromo-2-pyridinyl)pyrazol-3-yl]carbamic acid.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)pyrazol-3-amine;[2-(5-bromo-2-pyridinyl)pyrazol-3-yl]carbamic acid
PubChem CID156501407
Molecular FormulaC17H14Br2N8O2
Molecular Weight522.16 g/mol
Exact Mass519.96
IUPAC Name2-(5-bromo-2-pyridinyl)pyrazol-3-amine;[2-(5-bromo-2-pyridinyl)pyrazol-3-yl]carbamic acid
SMILESNc1ccnn1-c1ccc(Br)cn1.O=C(O)Nc1ccnn1-c1ccc(Br)cn1
InChIInChI=1S/C9H7BrN4O2.C8H7BrN4/c10-6-1-2-7(11-5-6)14-8(3-4-12-14)13-9(15)16;9-6-1-2-8(11-5-6)13-7(10)3-4-12-13/h1-5,13H,(H,15,16);1-5H,10H2
InChIKeyHXBUDZZOBLVDGQ-UHFFFAOYSA-N
XLogP3.73
TPSA136.77 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.16
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-(5-bromo-2-pyridinyl)pyrazol-3-amine;[2-(5-bromo-2-pyridinyl)pyrazol-3-yl]carbamic acid 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 2-(5-bromo-2-pyridinyl)pyrazol-3-amine;[2-(5-bromo-2-pyridinyl)pyrazol-3-yl]carbamic acid?
The IUPAC name of 2-(5-bromo-2-pyridinyl)pyrazol-3-amine;[2-(5-bromo-2-pyridinyl)pyrazol-3-yl]carbamic acid (CID 156501407) is 2-(5-bromo-2-pyridinyl)pyrazol-3-amine;[2-(5-bromo-2-pyridinyl)pyrazol-3-yl]carbamic acid.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)pyrazol-3-amine;[2-(5-bromo-2-pyridinyl)pyrazol-3-yl]carbamic acid?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)pyrazol-3-amine;[2-(5-bromo-2-pyridinyl)pyrazol-3-yl]carbamic acid is Nc1ccnn1-c1ccc(Br)cn1.O=C(O)Nc1ccnn1-c1ccc(Br)cn1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)pyrazol-3-amine;[2-(5-bromo-2-pyridinyl)pyrazol-3-yl]carbamic acid?
The InChIKey is HXBUDZZOBLVDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN4O2.C8H7BrN4/c10-6-1-2-7(11-5-6)14-8(3-4-12-14)13-9(15)16;9-6-1-2-8(11-5-6)13-7(10)3-4-12-13/h1-5,13H,(H,15,16);1-5H,10H2.
What are the key properties of 2-(5-bromo-2-pyridinyl)pyrazol-3-amine;[2-(5-bromo-2-pyridinyl)pyrazol-3-yl]carbamic acid?
2-(5-bromo-2-pyridinyl)pyrazol-3-amine;[2-(5-bromo-2-pyridinyl)pyrazol-3-yl]carbamic acid has a molecular weight of 522.16 g/mol, XLogP of 3.73, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)pyrazol-3-amine;[2-(5-bromo-2-pyridinyl)pyrazol-3-yl]carbamic acid is sourced from PubChem (CID 156501407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).