2-ethyl-7-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C12H19N3O — CID 136838885

IUPAC2-ethyl-7-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCc1cc2n(n1)C(C1CCOC1)CCN2
InChIInChI=1S/C12H19N3O/c1-2-10-7-12-13-5-3-11(15(12)14-10)9-4-6-16-8-9/h7,9,11,13H,2-6,8H2,1H3
InChIKeyILQXKMNLZJMXRN-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.84
Rot. Bonds2

About 2-ethyl-7-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

2-ethyl-7-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136838885) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-ethyl-7-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-ethyl-7-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136838885
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-ethyl-7-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCc1cc2n(n1)C(C1CCOC1)CCN2
InChIInChI=1S/C12H19N3O/c1-2-10-7-12-13-5-3-11(15(12)14-10)9-4-6-16-8-9/h7,9,11,13H,2-6,8H2,1H3
InChIKeyILQXKMNLZJMXRN-UHFFFAOYSA-N
XLogP1.84
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-7-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136709222
2-(oxan-4-yl)-7-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841290
7-(oxolan-3-yl)-2-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838222
7-cyclopentyl-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838968
7-piperidin-3-yl-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838503
7-(3,5-dimethylphenyl)-2-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838903
2-ethyl-7-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 137012029
3-methyl-2-(5-methyloxolan-2-yl)-7-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136837953
7-(5-methyloxolan-2-yl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838483
2-(2,2-dimethylpropyl)-7-piperidin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841078
4-(oxolan-3-yl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazole
CID 137012219
2-butyl-7-(5-methyloxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838419

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-ethyl-7-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136838885) is 2-ethyl-7-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-ethyl-7-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-ethyl-7-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CCc1cc2n(n1)C(C1CCOC1)CCN2.
What is the InChIKey of 2-ethyl-7-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is ILQXKMNLZJMXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-10-7-12-13-5-3-11(15(12)14-10)9-4-6-16-8-9/h7,9,11,13H,2-6,8H2,1H3.
What are the key properties of 2-ethyl-7-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
2-ethyl-7-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 221.30 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136838885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).