N-[3-(oxolan-3-yl)propyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine

C16H24N4O — CID 56888664

IUPACN-[3-(oxolan-3-yl)propyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1cc(NCCCC2CCOC2)n2nccc2n1
InChIInChI=1S/C16H24N4O/c1-2-4-14-11-16(20-15(19-14)6-9-18-20)17-8-3-5-13-7-10-21-12-13/h6,9,11,13,17H,2-5,7-8,10,12H2,1H3
InChIKeyDYXUBHAMQXTJLA-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.91
Rot. Bonds7

About N-[3-(oxolan-3-yl)propyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine

N-[3-(oxolan-3-yl)propyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56888664) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[3-(oxolan-3-yl)propyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[3-(oxolan-3-yl)propyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56888664
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-[3-(oxolan-3-yl)propyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1cc(NCCCC2CCOC2)n2nccc2n1
InChIInChI=1S/C16H24N4O/c1-2-4-14-11-16(20-15(19-14)6-9-18-20)17-8-3-5-13-7-10-21-12-13/h6,9,11,13,17H,2-5,7-8,10,12H2,1H3
InChIKeyDYXUBHAMQXTJLA-UHFFFAOYSA-N
XLogP2.91
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.91
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 N-[3-(oxolan-3-yl)propyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[3-(oxolan-3-yl)propyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine (CID 56888664) is N-[3-(oxolan-3-yl)propyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[3-(oxolan-3-yl)propyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[3-(oxolan-3-yl)propyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine is CCCc1cc(NCCCC2CCOC2)n2nccc2n1.
What is the InChIKey of N-[3-(oxolan-3-yl)propyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is DYXUBHAMQXTJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-2-4-14-11-16(20-15(19-14)6-9-18-20)17-8-3-5-13-7-10-21-12-13/h6,9,11,13,17H,2-5,7-8,10,12H2,1H3.
What are the key properties of N-[3-(oxolan-3-yl)propyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[3-(oxolan-3-yl)propyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 288.39 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(oxolan-3-yl)propyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56888664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).