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

C19H22N4O — CID 56883589

IUPACN-[3-(oxolan-3-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESc1ccc(-c2cc(NCCCC3CCOC3)n3nccc3n2)cc1
InChIInChI=1S/C19H22N4O/c1-2-6-16(7-3-1)17-13-19(23-18(22-17)8-11-21-23)20-10-4-5-15-9-12-24-14-15/h1-3,6-8,11,13,15,20H,4-5,9-10,12,14H2
InChIKeyJUTGUYFXDYJEQK-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.62
Rot. Bonds6

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

N-[3-(oxolan-3-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56883589) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[3-(oxolan-3-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[3-(oxolan-3-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56883589
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-[3-(oxolan-3-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESc1ccc(-c2cc(NCCCC3CCOC3)n3nccc3n2)cc1
InChIInChI=1S/C19H22N4O/c1-2-6-16(7-3-1)17-13-19(23-18(22-17)8-11-21-23)20-10-4-5-15-9-12-24-14-15/h1-3,6-8,11,13,15,20H,4-5,9-10,12,14H2
InChIKeyJUTGUYFXDYJEQK-UHFFFAOYSA-N
XLogP3.62
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.62
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-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[3-(oxolan-3-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 56883589) is N-[3-(oxolan-3-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[3-(oxolan-3-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[3-(oxolan-3-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is c1ccc(-c2cc(NCCCC3CCOC3)n3nccc3n2)cc1.
What is the InChIKey of N-[3-(oxolan-3-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JUTGUYFXDYJEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-2-6-16(7-3-1)17-13-19(23-18(22-17)8-11-21-23)20-10-4-5-15-9-12-24-14-15/h1-3,6-8,11,13,15,20H,4-5,9-10,12,14H2.
What are the key properties of N-[3-(oxolan-3-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[3-(oxolan-3-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 322.41 g/mol, XLogP of 3.62, 6 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-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56883589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).