[2-(4-bromopyrazol-1-yl)-4-pyridinyl]methanamine

C9H9BrN4 — CID 61035802

IUPAC[2-(4-bromopyrazol-1-yl)-4-pyridinyl]methanamine
SMILESNCc1ccnc(-n2cc(Br)cn2)c1
InChIInChI=1S/C9H9BrN4/c10-8-5-13-14(6-8)9-3-7(4-11)1-2-12-9/h1-3,5-6H,4,11H2
InChIKeyKPQDQFAMDRPQRV-UHFFFAOYSA-N
MW253.10 g/mol
LogP1.49
Rot. Bonds2

About [2-(4-bromopyrazol-1-yl)-4-pyridinyl]methanamine

[2-(4-bromopyrazol-1-yl)-4-pyridinyl]methanamine (PubChem CID 61035802) has the molecular formula C9H9BrN4 and a molecular weight of 253.10 g/mol. Its IUPAC name is [2-(4-bromopyrazol-1-yl)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(4-bromopyrazol-1-yl)-4-pyridinyl]methanamine
PubChem CID61035802
Molecular FormulaC9H9BrN4
Molecular Weight253.10 g/mol
Exact Mass252.00
IUPAC Name[2-(4-bromopyrazol-1-yl)-4-pyridinyl]methanamine
SMILESNCc1ccnc(-n2cc(Br)cn2)c1
InChIInChI=1S/C9H9BrN4/c10-8-5-13-14(6-8)9-3-7(4-11)1-2-12-9/h1-3,5-6H,4,11H2
InChIKeyKPQDQFAMDRPQRV-UHFFFAOYSA-N
XLogP1.49
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(4-bromopyrazol-1-yl)-4-pyridinyl]methanamine 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-(4-bromopyrazol-1-yl)-4-pyridinyl]methanamine?
The IUPAC name of [2-(4-bromopyrazol-1-yl)-4-pyridinyl]methanamine (CID 61035802) is [2-(4-bromopyrazol-1-yl)-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(4-bromopyrazol-1-yl)-4-pyridinyl]methanamine?
The canonical SMILES for [2-(4-bromopyrazol-1-yl)-4-pyridinyl]methanamine is NCc1ccnc(-n2cc(Br)cn2)c1.
What is the InChIKey of [2-(4-bromopyrazol-1-yl)-4-pyridinyl]methanamine?
The InChIKey is KPQDQFAMDRPQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4/c10-8-5-13-14(6-8)9-3-7(4-11)1-2-12-9/h1-3,5-6H,4,11H2.
What are the key properties of [2-(4-bromopyrazol-1-yl)-4-pyridinyl]methanamine?
[2-(4-bromopyrazol-1-yl)-4-pyridinyl]methanamine has a molecular weight of 253.10 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromopyrazol-1-yl)-4-pyridinyl]methanamine is sourced from PubChem (CID 61035802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).