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

C17H21N3O — CID 136709468

IUPAC7-(5-methyloxolan-2-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC1CCC(C2CCNc3cc(-c4ccccc4)nn32)O1
InChIInChI=1S/C17H21N3O/c1-12-7-8-16(21-12)15-9-10-18-17-11-14(19-20(15)17)13-5-3-2-4-6-13/h2-6,11-12,15-16,18H,7-10H2,1H3
InChIKeyVPQXWMHIZDOYAJ-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.47
Rot. Bonds2

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

7-(5-methyloxolan-2-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136709468) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 7-(5-methyloxolan-2-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(5-methyloxolan-2-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136709468
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name7-(5-methyloxolan-2-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC1CCC(C2CCNc3cc(-c4ccccc4)nn32)O1
InChIInChI=1S/C17H21N3O/c1-12-7-8-16(21-12)15-9-10-18-17-11-14(19-20(15)17)13-5-3-2-4-6-13/h2-6,11-12,15-16,18H,7-10H2,1H3
InChIKeyVPQXWMHIZDOYAJ-UHFFFAOYSA-N
XLogP3.47
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(5-methyloxolan-2-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(5-methyloxolan-2-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136709468) is 7-(5-methyloxolan-2-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(5-methyloxolan-2-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(5-methyloxolan-2-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CC1CCC(C2CCNc3cc(-c4ccccc4)nn32)O1.
What is the InChIKey of 7-(5-methyloxolan-2-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is VPQXWMHIZDOYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-7-8-16(21-12)15-9-10-18-17-11-14(19-20(15)17)13-5-3-2-4-6-13/h2-6,11-12,15-16,18H,7-10H2,1H3.
What are the key properties of 7-(5-methyloxolan-2-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
7-(5-methyloxolan-2-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 283.38 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-methyloxolan-2-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136709468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).