4-(1-pyridazin-3-ylpyrazol-4-yl)aniline

C13H11N5 — CID 63328494

IUPAC4-(1-pyridazin-3-ylpyrazol-4-yl)aniline
SMILESNc1ccc(-c2cnn(-c3cccnn3)c2)cc1
InChIInChI=1S/C13H11N5/c14-12-5-3-10(4-6-12)11-8-16-18(9-11)13-2-1-7-15-17-13/h1-9H,14H2
InChIKeyDSKGRWBMFWMNQG-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.91
Rot. Bonds2

About 4-(1-pyridazin-3-ylpyrazol-4-yl)aniline

4-(1-pyridazin-3-ylpyrazol-4-yl)aniline (PubChem CID 63328494) has the molecular formula C13H11N5 and a molecular weight of 237.27 g/mol. Its IUPAC name is 4-(1-pyridazin-3-ylpyrazol-4-yl)aniline.

Molecular Properties

Compound Name4-(1-pyridazin-3-ylpyrazol-4-yl)aniline
PubChem CID63328494
Molecular FormulaC13H11N5
Molecular Weight237.27 g/mol
Exact Mass237.10
IUPAC Name4-(1-pyridazin-3-ylpyrazol-4-yl)aniline
SMILESNc1ccc(-c2cnn(-c3cccnn3)c2)cc1
InChIInChI=1S/C13H11N5/c14-12-5-3-10(4-6-12)11-8-16-18(9-11)13-2-1-7-15-17-13/h1-9H,14H2
InChIKeyDSKGRWBMFWMNQG-UHFFFAOYSA-N
XLogP1.91
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.91
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 4-(1-pyridazin-3-ylpyrazol-4-yl)aniline?
The IUPAC name of 4-(1-pyridazin-3-ylpyrazol-4-yl)aniline (CID 63328494) is 4-(1-pyridazin-3-ylpyrazol-4-yl)aniline.
What is the SMILES notation for 4-(1-pyridazin-3-ylpyrazol-4-yl)aniline?
The canonical SMILES for 4-(1-pyridazin-3-ylpyrazol-4-yl)aniline is Nc1ccc(-c2cnn(-c3cccnn3)c2)cc1.
What is the InChIKey of 4-(1-pyridazin-3-ylpyrazol-4-yl)aniline?
The InChIKey is DSKGRWBMFWMNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5/c14-12-5-3-10(4-6-12)11-8-16-18(9-11)13-2-1-7-15-17-13/h1-9H,14H2.
What are the key properties of 4-(1-pyridazin-3-ylpyrazol-4-yl)aniline?
4-(1-pyridazin-3-ylpyrazol-4-yl)aniline has a molecular weight of 237.27 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-pyridazin-3-ylpyrazol-4-yl)aniline is sourced from PubChem (CID 63328494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).