4-nonyl-1-pyrimidin-2-ylpyrazol-5-amine

C16H25N5 — CID 14306848

IUPAC4-nonyl-1-pyrimidin-2-ylpyrazol-5-amine
SMILESCCCCCCCCCc1cnn(-c2ncccn2)c1N
InChIInChI=1S/C16H25N5/c1-2-3-4-5-6-7-8-10-14-13-20-21(15(14)17)16-18-11-9-12-19-16/h9,11-13H,2-8,10,17H2,1H3
InChIKeyVJTUOKNRHKEJBP-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.54
Rot. Bonds9

About 4-nonyl-1-pyrimidin-2-ylpyrazol-5-amine

4-nonyl-1-pyrimidin-2-ylpyrazol-5-amine (PubChem CID 14306848) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-nonyl-1-pyrimidin-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name4-nonyl-1-pyrimidin-2-ylpyrazol-5-amine
PubChem CID14306848
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name4-nonyl-1-pyrimidin-2-ylpyrazol-5-amine
SMILESCCCCCCCCCc1cnn(-c2ncccn2)c1N
InChIInChI=1S/C16H25N5/c1-2-3-4-5-6-7-8-10-14-13-20-21(15(14)17)16-18-11-9-12-19-16/h9,11-13H,2-8,10,17H2,1H3
InChIKeyVJTUOKNRHKEJBP-UHFFFAOYSA-N
XLogP3.54
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.54
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 4-nonyl-1-pyrimidin-2-ylpyrazol-5-amine?
The IUPAC name of 4-nonyl-1-pyrimidin-2-ylpyrazol-5-amine (CID 14306848) is 4-nonyl-1-pyrimidin-2-ylpyrazol-5-amine.
What is the SMILES notation for 4-nonyl-1-pyrimidin-2-ylpyrazol-5-amine?
The canonical SMILES for 4-nonyl-1-pyrimidin-2-ylpyrazol-5-amine is CCCCCCCCCc1cnn(-c2ncccn2)c1N.
What is the InChIKey of 4-nonyl-1-pyrimidin-2-ylpyrazol-5-amine?
The InChIKey is VJTUOKNRHKEJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-2-3-4-5-6-7-8-10-14-13-20-21(15(14)17)16-18-11-9-12-19-16/h9,11-13H,2-8,10,17H2,1H3.
What are the key properties of 4-nonyl-1-pyrimidin-2-ylpyrazol-5-amine?
4-nonyl-1-pyrimidin-2-ylpyrazol-5-amine has a molecular weight of 287.41 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nonyl-1-pyrimidin-2-ylpyrazol-5-amine is sourced from PubChem (CID 14306848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).