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

C14H21N5 — CID 14306851

IUPAC4-heptyl-1-pyrimidin-2-ylpyrazol-5-amine
SMILESCCCCCCCc1cnn(-c2ncccn2)c1N
InChIInChI=1S/C14H21N5/c1-2-3-4-5-6-8-12-11-18-19(13(12)15)14-16-9-7-10-17-14/h7,9-11H,2-6,8,15H2,1H3
InChIKeyPGTAWIGDBCSVKR-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.76
Rot. Bonds7

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

4-heptyl-1-pyrimidin-2-ylpyrazol-5-amine (PubChem CID 14306851) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 4-heptyl-1-pyrimidin-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name4-heptyl-1-pyrimidin-2-ylpyrazol-5-amine
PubChem CID14306851
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name4-heptyl-1-pyrimidin-2-ylpyrazol-5-amine
SMILESCCCCCCCc1cnn(-c2ncccn2)c1N
InChIInChI=1S/C14H21N5/c1-2-3-4-5-6-8-12-11-18-19(13(12)15)14-16-9-7-10-17-14/h7,9-11H,2-6,8,15H2,1H3
InChIKeyPGTAWIGDBCSVKR-UHFFFAOYSA-N
XLogP2.76
TPSA69.62 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 ≤ 52.76
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-heptyl-1-pyrimidin-2-ylpyrazol-5-amine?
The IUPAC name of 4-heptyl-1-pyrimidin-2-ylpyrazol-5-amine (CID 14306851) is 4-heptyl-1-pyrimidin-2-ylpyrazol-5-amine.
What is the SMILES notation for 4-heptyl-1-pyrimidin-2-ylpyrazol-5-amine?
The canonical SMILES for 4-heptyl-1-pyrimidin-2-ylpyrazol-5-amine is CCCCCCCc1cnn(-c2ncccn2)c1N.
What is the InChIKey of 4-heptyl-1-pyrimidin-2-ylpyrazol-5-amine?
The InChIKey is PGTAWIGDBCSVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-2-3-4-5-6-8-12-11-18-19(13(12)15)14-16-9-7-10-17-14/h7,9-11H,2-6,8,15H2,1H3.
What are the key properties of 4-heptyl-1-pyrimidin-2-ylpyrazol-5-amine?
4-heptyl-1-pyrimidin-2-ylpyrazol-5-amine has a molecular weight of 259.36 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptyl-1-pyrimidin-2-ylpyrazol-5-amine is sourced from PubChem (CID 14306851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).