3-(1-pyrazolo[1,5-a]pyrazin-4-ylpyrazol-4-yl)aniline

C15H12N6 — CID 104733204

IUPAC3-(1-pyrazolo[1,5-a]pyrazin-4-ylpyrazol-4-yl)aniline
SMILESNc1cccc(-c2cnn(-c3nccn4nccc34)c2)c1
InChIInChI=1S/C15H12N6/c16-13-3-1-2-11(8-13)12-9-19-21(10-12)15-14-4-5-18-20(14)7-6-17-15/h1-10H,16H2
InChIKeyAQKXGSHOTFOXSJ-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.16
Rot. Bonds2

About 3-(1-pyrazolo[1,5-a]pyrazin-4-ylpyrazol-4-yl)aniline

3-(1-pyrazolo[1,5-a]pyrazin-4-ylpyrazol-4-yl)aniline (PubChem CID 104733204) has the molecular formula C15H12N6 and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-(1-pyrazolo[1,5-a]pyrazin-4-ylpyrazol-4-yl)aniline.

Molecular Properties

Compound Name3-(1-pyrazolo[1,5-a]pyrazin-4-ylpyrazol-4-yl)aniline
PubChem CID104733204
Molecular FormulaC15H12N6
Molecular Weight276.30 g/mol
Exact Mass276.11
IUPAC Name3-(1-pyrazolo[1,5-a]pyrazin-4-ylpyrazol-4-yl)aniline
SMILESNc1cccc(-c2cnn(-c3nccn4nccc34)c2)c1
InChIInChI=1S/C15H12N6/c16-13-3-1-2-11(8-13)12-9-19-21(10-12)15-14-4-5-18-20(14)7-6-17-15/h1-10H,16H2
InChIKeyAQKXGSHOTFOXSJ-UHFFFAOYSA-N
XLogP2.16
TPSA74.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-pyrazolo[1,5-a]pyrazin-4-ylpyrazol-4-yl)aniline?
The IUPAC name of 3-(1-pyrazolo[1,5-a]pyrazin-4-ylpyrazol-4-yl)aniline (CID 104733204) is 3-(1-pyrazolo[1,5-a]pyrazin-4-ylpyrazol-4-yl)aniline.
What is the SMILES notation for 3-(1-pyrazolo[1,5-a]pyrazin-4-ylpyrazol-4-yl)aniline?
The canonical SMILES for 3-(1-pyrazolo[1,5-a]pyrazin-4-ylpyrazol-4-yl)aniline is Nc1cccc(-c2cnn(-c3nccn4nccc34)c2)c1.
What is the InChIKey of 3-(1-pyrazolo[1,5-a]pyrazin-4-ylpyrazol-4-yl)aniline?
The InChIKey is AQKXGSHOTFOXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6/c16-13-3-1-2-11(8-13)12-9-19-21(10-12)15-14-4-5-18-20(14)7-6-17-15/h1-10H,16H2.
What are the key properties of 3-(1-pyrazolo[1,5-a]pyrazin-4-ylpyrazol-4-yl)aniline?
3-(1-pyrazolo[1,5-a]pyrazin-4-ylpyrazol-4-yl)aniline has a molecular weight of 276.30 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-pyrazolo[1,5-a]pyrazin-4-ylpyrazol-4-yl)aniline is sourced from PubChem (CID 104733204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).