3-nonan-3-ylpyrazolo[1,5-a]pyrimidin-2-amine

C15H24N4 — CID 146245019

IUPAC3-nonan-3-ylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCCCCCCC(CC)c1c(N)nn2cccnc12
InChIInChI=1S/C15H24N4/c1-3-5-6-7-9-12(4-2)13-14(16)18-19-11-8-10-17-15(13)19/h8,10-12H,3-7,9H2,1-2H3,(H2,16,18)
InChIKeyPHRHCULXNGVNSZ-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.78
Rot. Bonds7

About 3-nonan-3-ylpyrazolo[1,5-a]pyrimidin-2-amine

3-nonan-3-ylpyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 146245019) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-nonan-3-ylpyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name3-nonan-3-ylpyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID146245019
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name3-nonan-3-ylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCCCCCCC(CC)c1c(N)nn2cccnc12
InChIInChI=1S/C15H24N4/c1-3-5-6-7-9-12(4-2)13-14(16)18-19-11-8-10-17-15(13)19/h8,10-12H,3-7,9H2,1-2H3,(H2,16,18)
InChIKeyPHRHCULXNGVNSZ-UHFFFAOYSA-N
XLogP3.78
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-nonan-3-ylpyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 3-nonan-3-ylpyrazolo[1,5-a]pyrimidin-2-amine (CID 146245019) is 3-nonan-3-ylpyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 3-nonan-3-ylpyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 3-nonan-3-ylpyrazolo[1,5-a]pyrimidin-2-amine is CCCCCCC(CC)c1c(N)nn2cccnc12.
What is the InChIKey of 3-nonan-3-ylpyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is PHRHCULXNGVNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-3-5-6-7-9-12(4-2)13-14(16)18-19-11-8-10-17-15(13)19/h8,10-12H,3-7,9H2,1-2H3,(H2,16,18).
What are the key properties of 3-nonan-3-ylpyrazolo[1,5-a]pyrimidin-2-amine?
3-nonan-3-ylpyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 260.38 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nonan-3-ylpyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 146245019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).