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

C14H23N3O — CID 136838483

IUPAC7-(5-methyloxolan-2-yl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCCc1cc2n(n1)C(C1CCC(C)O1)CCN2
InChIInChI=1S/C14H23N3O/c1-3-4-11-9-14-15-8-7-12(17(14)16-11)13-6-5-10(2)18-13/h9-10,12-13,15H,3-8H2,1-2H3
InChIKeyHJDGAOIYGLOVNC-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.76
Rot. Bonds3

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

7-(5-methyloxolan-2-yl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136838483) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 7-(5-methyloxolan-2-yl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(5-methyloxolan-2-yl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136838483
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name7-(5-methyloxolan-2-yl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCCc1cc2n(n1)C(C1CCC(C)O1)CCN2
InChIInChI=1S/C14H23N3O/c1-3-4-11-9-14-15-8-7-12(17(14)16-11)13-6-5-10(2)18-13/h9-10,12-13,15H,3-8H2,1-2H3
InChIKeyHJDGAOIYGLOVNC-UHFFFAOYSA-N
XLogP2.76
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-butyl-7-(5-methyloxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838419
7-(5-methyloxolan-2-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136709468
7-piperidin-3-yl-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838503
7-(3,5-dimethylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838509
2-(2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole
CID 136838464
7-(2-methylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838497
2-ethyl-7-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838885
7-cyclopentyl-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838968
5-methyl-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838478
7-(difluoromethyl)-2-(3-methylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 137012005
5-(2-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-2-methylaniline
CID 136838415
2-(2,2-dimethylpropyl)-7-piperidin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841078

Frequently Asked Questions

What is the IUPAC name of 7-(5-methyloxolan-2-yl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(5-methyloxolan-2-yl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136838483) is 7-(5-methyloxolan-2-yl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(5-methyloxolan-2-yl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(5-methyloxolan-2-yl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CCCc1cc2n(n1)C(C1CCC(C)O1)CCN2.
What is the InChIKey of 7-(5-methyloxolan-2-yl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is HJDGAOIYGLOVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-4-11-9-14-15-8-7-12(17(14)16-11)13-6-5-10(2)18-13/h9-10,12-13,15H,3-8H2,1-2H3.
What are the key properties of 7-(5-methyloxolan-2-yl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
7-(5-methyloxolan-2-yl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 249.36 g/mol, XLogP of 2.76, 3 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-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136838483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).