4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)aniline

C12H9ClN4 — CID 143294265

IUPAC4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)aniline
SMILESNc1ccc(-c2cc(Cl)n3nccc3n2)cc1
InChIInChI=1S/C12H9ClN4/c13-11-7-10(8-1-3-9(14)4-2-8)16-12-5-6-15-17(11)12/h1-7H,14H2
InChIKeyLYLFWOOCMBJUEW-UHFFFAOYSA-N
MW244.69 g/mol
LogP2.63
Rot. Bonds1

About 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)aniline

4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)aniline (PubChem CID 143294265) has the molecular formula C12H9ClN4 and a molecular weight of 244.69 g/mol. Its IUPAC name is 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)aniline.

Molecular Properties

Compound Name4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)aniline
PubChem CID143294265
Molecular FormulaC12H9ClN4
Molecular Weight244.69 g/mol
Exact Mass244.05
IUPAC Name4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)aniline
SMILESNc1ccc(-c2cc(Cl)n3nccc3n2)cc1
InChIInChI=1S/C12H9ClN4/c13-11-7-10(8-1-3-9(14)4-2-8)16-12-5-6-15-17(11)12/h1-7H,14H2
InChIKeyLYLFWOOCMBJUEW-UHFFFAOYSA-N
XLogP2.63
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)aniline 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 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)aniline?
The IUPAC name of 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)aniline (CID 143294265) is 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)aniline.
What is the SMILES notation for 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)aniline?
The canonical SMILES for 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)aniline is Nc1ccc(-c2cc(Cl)n3nccc3n2)cc1.
What is the InChIKey of 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)aniline?
The InChIKey is LYLFWOOCMBJUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4/c13-11-7-10(8-1-3-9(14)4-2-8)16-12-5-6-15-17(11)12/h1-7H,14H2.
What are the key properties of 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)aniline?
4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)aniline has a molecular weight of 244.69 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)aniline is sourced from PubChem (CID 143294265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).