2,6-di(pyrazol-1-yl)aniline

C12H11N5 — CID 50989646

IUPAC2,6-di(pyrazol-1-yl)aniline
SMILESNc1c(-n2cccn2)cccc1-n1cccn1
InChIInChI=1S/C12H11N5/c13-12-10(16-8-2-6-14-16)4-1-5-11(12)17-9-3-7-15-17/h1-9H,13H2
InChIKeySTTNPTLIOLZWED-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.64
Rot. Bonds2

About 2,6-di(pyrazol-1-yl)aniline

2,6-di(pyrazol-1-yl)aniline (PubChem CID 50989646) has the molecular formula C12H11N5 and a molecular weight of 225.26 g/mol. Its IUPAC name is 2,6-di(pyrazol-1-yl)aniline.

Molecular Properties

Compound Name2,6-di(pyrazol-1-yl)aniline
PubChem CID50989646
Molecular FormulaC12H11N5
Molecular Weight225.26 g/mol
Exact Mass225.10
IUPAC Name2,6-di(pyrazol-1-yl)aniline
SMILESNc1c(-n2cccn2)cccc1-n1cccn1
InChIInChI=1S/C12H11N5/c13-12-10(16-8-2-6-14-16)4-1-5-11(12)17-9-3-7-15-17/h1-9H,13H2
InChIKeySTTNPTLIOLZWED-UHFFFAOYSA-N
XLogP1.64
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-di(pyrazol-1-yl)aniline?
The IUPAC name of 2,6-di(pyrazol-1-yl)aniline (CID 50989646) is 2,6-di(pyrazol-1-yl)aniline.
What is the SMILES notation for 2,6-di(pyrazol-1-yl)aniline?
The canonical SMILES for 2,6-di(pyrazol-1-yl)aniline is Nc1c(-n2cccn2)cccc1-n1cccn1.
What is the InChIKey of 2,6-di(pyrazol-1-yl)aniline?
The InChIKey is STTNPTLIOLZWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c13-12-10(16-8-2-6-14-16)4-1-5-11(12)17-9-3-7-15-17/h1-9H,13H2.
What are the key properties of 2,6-di(pyrazol-1-yl)aniline?
2,6-di(pyrazol-1-yl)aniline has a molecular weight of 225.26 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(pyrazol-1-yl)aniline is sourced from PubChem (CID 50989646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).