3-[1-(6-methylpyridazin-3-yl)pyrazol-4-yl]-N-propylpropan-1-amine

C14H21N5 — CID 62718450

IUPAC3-[1-(6-methylpyridazin-3-yl)pyrazol-4-yl]-N-propylpropan-1-amine
SMILESCCCNCCCc1cnn(-c2ccc(C)nn2)c1
InChIInChI=1S/C14H21N5/c1-3-8-15-9-4-5-13-10-16-19(11-13)14-7-6-12(2)17-18-14/h6-7,10-11,15H,3-5,8-9H2,1-2H3
InChIKeyQCNQEVGFUBQEGI-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.90
Rot. Bonds7

About 3-[1-(6-methylpyridazin-3-yl)pyrazol-4-yl]-N-propylpropan-1-amine

3-[1-(6-methylpyridazin-3-yl)pyrazol-4-yl]-N-propylpropan-1-amine (PubChem CID 62718450) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 3-[1-(6-methylpyridazin-3-yl)pyrazol-4-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-[1-(6-methylpyridazin-3-yl)pyrazol-4-yl]-N-propylpropan-1-amine
PubChem CID62718450
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name3-[1-(6-methylpyridazin-3-yl)pyrazol-4-yl]-N-propylpropan-1-amine
SMILESCCCNCCCc1cnn(-c2ccc(C)nn2)c1
InChIInChI=1S/C14H21N5/c1-3-8-15-9-4-5-13-10-16-19(11-13)14-7-6-12(2)17-18-14/h6-7,10-11,15H,3-5,8-9H2,1-2H3
InChIKeyQCNQEVGFUBQEGI-UHFFFAOYSA-N
XLogP1.90
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-methylpyridazin-3-yl)pyrazol-4-yl]-N-propylpropan-1-amine?
The IUPAC name of 3-[1-(6-methylpyridazin-3-yl)pyrazol-4-yl]-N-propylpropan-1-amine (CID 62718450) is 3-[1-(6-methylpyridazin-3-yl)pyrazol-4-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 3-[1-(6-methylpyridazin-3-yl)pyrazol-4-yl]-N-propylpropan-1-amine?
The canonical SMILES for 3-[1-(6-methylpyridazin-3-yl)pyrazol-4-yl]-N-propylpropan-1-amine is CCCNCCCc1cnn(-c2ccc(C)nn2)c1.
What is the InChIKey of 3-[1-(6-methylpyridazin-3-yl)pyrazol-4-yl]-N-propylpropan-1-amine?
The InChIKey is QCNQEVGFUBQEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-3-8-15-9-4-5-13-10-16-19(11-13)14-7-6-12(2)17-18-14/h6-7,10-11,15H,3-5,8-9H2,1-2H3.
What are the key properties of 3-[1-(6-methylpyridazin-3-yl)pyrazol-4-yl]-N-propylpropan-1-amine?
3-[1-(6-methylpyridazin-3-yl)pyrazol-4-yl]-N-propylpropan-1-amine has a molecular weight of 259.36 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-methylpyridazin-3-yl)pyrazol-4-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 62718450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).