7-(oxolan-2-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C16H19N3O — CID 136709469

IUPAC7-(oxolan-2-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESc1ccc(-c2cc3n(n2)C(C2CCCO2)CCN3)cc1
InChIInChI=1S/C16H19N3O/c1-2-5-12(6-3-1)13-11-16-17-9-8-14(19(16)18-13)15-7-4-10-20-15/h1-3,5-6,11,14-15,17H,4,7-10H2
InChIKeyXDPMWGWHPQVUGB-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.09
Rot. Bonds2

About 7-(oxolan-2-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

7-(oxolan-2-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136709469) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 7-(oxolan-2-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(oxolan-2-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136709469
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name7-(oxolan-2-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESc1ccc(-c2cc3n(n2)C(C2CCCO2)CCN3)cc1
InChIInChI=1S/C16H19N3O/c1-2-5-12(6-3-1)13-11-16-17-9-8-14(19(16)18-13)15-7-4-10-20-15/h1-3,5-6,11,14-15,17H,4,7-10H2
InChIKeyXDPMWGWHPQVUGB-UHFFFAOYSA-N
XLogP3.09
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(oxolan-2-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(oxolan-2-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136709469) is 7-(oxolan-2-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(oxolan-2-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(oxolan-2-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is c1ccc(-c2cc3n(n2)C(C2CCCO2)CCN3)cc1.
What is the InChIKey of 7-(oxolan-2-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is XDPMWGWHPQVUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-5-12(6-3-1)13-11-16-17-9-8-14(19(16)18-13)15-7-4-10-20-15/h1-3,5-6,11,14-15,17H,4,7-10H2.
What are the key properties of 7-(oxolan-2-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
7-(oxolan-2-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 269.35 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(oxolan-2-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136709469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).