6-cyclobutyl-2-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C12H19N3 — CID 136926723

IUPAC6-cyclobutyl-2-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCc1cc2n(n1)CC(C1CCC1)CN2
InChIInChI=1S/C12H19N3/c1-2-11-6-12-13-7-10(8-15(12)14-11)9-4-3-5-9/h6,9-10,13H,2-5,7-8H2,1H3
InChIKeyWWHMUQYUFPBJNR-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.29
Rot. Bonds2

About 6-cyclobutyl-2-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

6-cyclobutyl-2-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136926723) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 6-cyclobutyl-2-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-cyclobutyl-2-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136926723
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name6-cyclobutyl-2-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCc1cc2n(n1)CC(C1CCC1)CN2
InChIInChI=1S/C12H19N3/c1-2-11-6-12-13-7-10(8-15(12)14-11)9-4-3-5-9/h6,9-10,13H,2-5,7-8H2,1H3
InChIKeyWWHMUQYUFPBJNR-UHFFFAOYSA-N
XLogP2.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-2-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-cyclobutyl-2-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136926723) is 6-cyclobutyl-2-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-cyclobutyl-2-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-cyclobutyl-2-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CCc1cc2n(n1)CC(C1CCC1)CN2.
What is the InChIKey of 6-cyclobutyl-2-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is WWHMUQYUFPBJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-2-11-6-12-13-7-10(8-15(12)14-11)9-4-3-5-9/h6,9-10,13H,2-5,7-8H2,1H3.
What are the key properties of 6-cyclobutyl-2-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
6-cyclobutyl-2-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 205.30 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-2-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136926723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).