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

C15H19N3 — CID 136838898

IUPAC2-ethyl-6-(4-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCc1cc2n(n1)CC(c1ccc(C)cc1)CN2
InChIInChI=1S/C15H19N3/c1-3-14-8-15-16-9-13(10-18(15)17-14)12-6-4-11(2)5-7-12/h4-8,13,16H,3,9-10H2,1-2H3
InChIKeyRFZUGYOCHVVYRS-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.96
Rot. Bonds2

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

2-ethyl-6-(4-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136838898) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-ethyl-6-(4-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-ethyl-6-(4-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136838898
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2-ethyl-6-(4-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCc1cc2n(n1)CC(c1ccc(C)cc1)CN2
InChIInChI=1S/C15H19N3/c1-3-14-8-15-16-9-13(10-18(15)17-14)12-6-4-11(2)5-7-12/h4-8,13,16H,3,9-10H2,1-2H3
InChIKeyRFZUGYOCHVVYRS-UHFFFAOYSA-N
XLogP2.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(4-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-ethyl-6-(4-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136838898) is 2-ethyl-6-(4-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-ethyl-6-(4-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-ethyl-6-(4-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CCc1cc2n(n1)CC(c1ccc(C)cc1)CN2.
What is the InChIKey of 2-ethyl-6-(4-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is RFZUGYOCHVVYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-3-14-8-15-16-9-13(10-18(15)17-14)12-6-4-11(2)5-7-12/h4-8,13,16H,3,9-10H2,1-2H3.
What are the key properties of 2-ethyl-6-(4-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
2-ethyl-6-(4-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 241.34 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(4-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136838898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).