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

C15H25N3O — CID 136838419

IUPAC2-butyl-7-(5-methyloxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCCCc1cc2n(n1)C(C1CCC(C)O1)CCN2
InChIInChI=1S/C15H25N3O/c1-3-4-5-12-10-15-16-9-8-13(18(15)17-12)14-7-6-11(2)19-14/h10-11,13-14,16H,3-9H2,1-2H3
InChIKeyCRGRWMDEGIXGSS-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.15
Rot. Bonds4

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

2-butyl-7-(5-methyloxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136838419) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-butyl-7-(5-methyloxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-butyl-7-(5-methyloxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136838419
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-butyl-7-(5-methyloxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCCCc1cc2n(n1)C(C1CCC(C)O1)CCN2
InChIInChI=1S/C15H25N3O/c1-3-4-5-12-10-15-16-9-8-13(18(15)17-12)14-7-6-11(2)19-14/h10-11,13-14,16H,3-9H2,1-2H3
InChIKeyCRGRWMDEGIXGSS-UHFFFAOYSA-N
XLogP3.15
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(5-methyloxolan-2-yl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838483
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
5-(2-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-2-methylaniline
CID 136838415
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
7-(2-methylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838497
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-(difluoromethyl)-2-(3-methylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 137012005
2-(2,2-dimethylpropyl)-7-piperidin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841078
7-(3,5-dimethylphenyl)-2-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838903

Frequently Asked Questions

What is the IUPAC name of 2-butyl-7-(5-methyloxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-butyl-7-(5-methyloxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136838419) is 2-butyl-7-(5-methyloxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-butyl-7-(5-methyloxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-butyl-7-(5-methyloxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CCCCc1cc2n(n1)C(C1CCC(C)O1)CCN2.
What is the InChIKey of 2-butyl-7-(5-methyloxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is CRGRWMDEGIXGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-4-5-12-10-15-16-9-8-13(18(15)17-12)14-7-6-11(2)19-14/h10-11,13-14,16H,3-9H2,1-2H3.
What are the key properties of 2-butyl-7-(5-methyloxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
2-butyl-7-(5-methyloxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 263.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-7-(5-methyloxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136838419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).