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

C17H21N3O — CID 136839212

IUPAC2-(2-methylphenyl)-7-(oxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1ccccc1-c1cc2n(n1)C(C1CCCO1)CCN2
InChIInChI=1S/C17H21N3O/c1-12-5-2-3-6-13(12)14-11-17-18-9-8-15(20(17)19-14)16-7-4-10-21-16/h2-3,5-6,11,15-16,18H,4,7-10H2,1H3
InChIKeyYXJWBAMIILJFLK-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.39
Rot. Bonds2

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

2-(2-methylphenyl)-7-(oxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136839212) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(2-methylphenyl)-7-(oxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(2-methylphenyl)-7-(oxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136839212
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Name2-(2-methylphenyl)-7-(oxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1ccccc1-c1cc2n(n1)C(C1CCCO1)CCN2
InChIInChI=1S/C17H21N3O/c1-12-5-2-3-6-13(12)14-11-17-18-9-8-15(20(17)19-14)16-7-4-10-21-16/h2-3,5-6,11,15-16,18H,4,7-10H2,1H3
InChIKeyYXJWBAMIILJFLK-UHFFFAOYSA-N
XLogP3.39
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-7-(oxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(2-methylphenyl)-7-(oxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136839212) is 2-(2-methylphenyl)-7-(oxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(2-methylphenyl)-7-(oxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(2-methylphenyl)-7-(oxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is Cc1ccccc1-c1cc2n(n1)C(C1CCCO1)CCN2.
What is the InChIKey of 2-(2-methylphenyl)-7-(oxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is YXJWBAMIILJFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-5-2-3-6-13(12)14-11-17-18-9-8-15(20(17)19-14)16-7-4-10-21-16/h2-3,5-6,11,15-16,18H,4,7-10H2,1H3.
What are the key properties of 2-(2-methylphenyl)-7-(oxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
2-(2-methylphenyl)-7-(oxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 283.37 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-7-(oxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136839212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).